 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer01_STD_B3LYPDBJ_augccpVDZ.in
 Output=26_junionone_conformer01_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-162932.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    162952.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer01_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:52:43 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.843861000000      0.588513000000      1.590318000000
  C                                                -2.018204000000      0.424265000000      0.084751000000
  C                                                -0.856893000000     -0.408703000000     -0.589828000000
  C                                                 0.485225000000     -0.407760000000      0.025693000000
  C                                                 1.609556000000      0.001394000000     -0.566648000000
  C                                                 2.918071000000     -0.019332000000      0.133614000000
  O                                                 3.039154000000     -0.402492000000      1.280585000000
  C                                                -2.305460000000      1.761314000000     -0.573782000000
  C                                                -2.977579000000     -0.750179000000     -0.258376000000
  C                                                -1.752114000000     -1.669731000000     -0.448443000000
  C                                                 4.104594000000      0.468016000000     -0.666946000000
  H                                                -3.507633000000     -0.576978000000     -1.196011000000
  H                                                -3.702742000000     -1.029046000000      0.506445000000
  H                                                -0.787609000000     -0.115682000000     -1.639725000000
  H                                                -1.511957000000     -2.231397000000      0.454425000000
  H                                                -1.756468000000     -2.357491000000     -1.292692000000
  H                                                -1.649939000000     -0.363032000000      2.087921000000
  H                                                -2.753812000000      1.008771000000      2.024721000000
  H                                                -1.016421000000      1.262039000000      1.822785000000
  H                                                -1.480256000000      2.460114000000     -0.412932000000
  H                                                -3.210529000000      2.213045000000     -0.158939000000
  H                                                -2.448800000000      1.648912000000     -1.650360000000
  H                                                 0.569847000000     -0.762540000000      1.049131000000
  H                                                 1.593223000000      0.362635000000     -1.590100000000
  H                                                 4.223011000000     -0.138714000000     -1.568854000000
  H                                                 5.009053000000      0.415379000000     -0.066038000000
  H                                                 3.937783000000      1.497147000000     -0.996563000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:52:43 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524502   0.000000
     3  C    2.592601   1.580359   0.000000
     4  C    2.977457   2.638733   1.476532   0.000000
     5  C    4.113794   3.709957   2.500417   1.335064   0.000000
     6  C    5.016718   4.956408   3.863332   2.466022   1.484253
     7  O    4.992180   5.262168   4.321766   2.845582   2.370473
     8  C    2.504369   1.517854   2.609133   3.584993   4.292403
     9  C    2.548545   1.554817   2.173425   3.491269   4.658508
    10  C    3.043785   2.177135   1.552933   2.612099   3.755989
    11  C    6.363480   6.168924   5.038942   3.787686   2.540278
    12  H    3.448208   2.204821   2.724371   4.179008   5.188086
    13  H    2.691973   2.264422   3.112153   4.261008   5.516688
    14  H    3.470553   2.186258   1.092220   2.116373   2.628992
    15  H    3.058154   2.728642   2.200406   2.738284   3.971371
    16  H    4.122902   3.115128   2.258545   3.250350   4.173919
    17  H    1.091170   2.183608   2.793089   2.968789   4.219461
    18  H    1.092398   2.155516   3.527520   4.061285   5.173875
    19  H    1.091941   2.173982   2.938967   2.876232   3.767542
    20  H    2.765522   2.163737   2.941086   3.504313   3.951692
    21  H    2.750779   2.163506   3.549483   4.534458   5.318914
    22  H    3.463003   2.166976   2.809391   3.955699   4.512095
    23  H    2.818548   3.006084   2.201584   1.086487   2.067688
    24  H    4.688243   3.981373   2.756551   2.105221   1.085457
    25  H    6.878674   6.481059   5.180426   4.072593   2.802534
    26  H    7.052370   7.028880   5.946662   4.599021   3.461008
    27  H    6.398826   6.147690   5.175579   4.073553   2.800490
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215325   0.000000
     8  C    5.563846   6.056867   0.000000
     9  C    5.953695   6.220158   2.618935   0.000000
    10  C    4.987307   5.248970   3.477639   1.543848   0.000000
    11  C    1.512032   2.384497   6.539885   7.197785   6.238488
    12  H    6.585480   7.001742   2.701851   1.090924   2.198821
    13  H    6.707734   6.815059   3.302332   1.090220   2.264341
    14  H    4.109267   4.822301   2.638791   2.665836   2.182771
    15  H    4.961985   4.973937   4.198642   2.202303   1.090098
    16  H    5.417809   5.782886   4.216963   2.268121   1.088939
    17  H    4.980378   4.758250   3.468028   2.723531   2.855003
    18  H    6.066592   6.008648   2.742181   2.890763   3.780782
    19  H    4.469389   4.417277   2.766664   3.496626   3.780872
    20  H    5.078548   5.611379   1.093232   3.545680   4.138936
    21  H    6.529076   6.926168   1.093300   2.974029   4.157732
    22  H    5.896516   6.551056   1.091879   2.823626   3.597689
    23  H    2.627677   2.506129   4.155848   3.780735   2.908131
    24  H    2.207331   3.304084   4.264849   4.889179   4.077398
    25  H    2.148376   3.096837   6.871769   7.344368   6.269087
    26  H    2.145004   2.522461   7.454626   8.073525   7.085711
    27  H    2.148679   3.098639   6.263115   7.308736   6.534866
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.701813   0.000000
    13  H    8.035704   1.772227   0.000000
    14  H    5.022017   2.794317   3.733401   0.000000
    15  H    6.331662   3.073071   2.499579   3.063722   0.000000
    16  H    6.536597   2.499230   2.964733   2.466744   1.768644
    17  H    6.433862   3.779022   2.675564   3.834076   2.485586
    18  H    7.387504   3.668237   2.712624   4.307959   3.808769
    19  H    5.749263   4.324494   3.768042   3.733557   3.784450
    20  H    5.934941   3.734622   4.237798   2.935900   4.771120
    21  H    7.537521   2.991324   3.346067   3.672361   4.797335
    22  H    6.731166   2.506421   3.660005   2.423522   4.512715
    23  H    4.117478   4.658427   4.315154   3.080756   2.616319
    24  H    2.677742   5.201626   5.863405   2.428911   4.533346
    25  H    1.093427   7.752028   8.241184   5.011174   6.431395
    26  H    1.087156   8.648442   8.849264   6.029909   7.056903
    27  H    1.093428   7.731494   8.186471   5.034303   6.760701
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.926545   0.000000
    18  H    4.830284   1.761923   0.000000
    19  H    4.832687   1.764227   1.767329   0.000000
    20  H    4.905057   3.775343   3.109742   2.578557   0.000000
    21  H    4.928437   3.757658   2.535200   3.105761   1.766182
    22  H    4.081484   4.319820   3.742864   3.776787   1.768433
    23  H    3.666026   2.483172   3.890505   2.685834   4.089749
    24  H    4.325271   4.957069   5.690443   4.389414   3.902745
    25  H    6.383839   6.921984   7.931366   6.396638   6.373172
    26  H    7.413890   7.041849   8.061356   6.371093   6.812665
    27  H    6.882617   6.648078   7.358268   5.705097   5.533812
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.767148   0.000000
    23  H    4.960321   4.713235   0.000000
    24  H    5.343058   4.242180   3.046122   0.000000
    25  H    7.923140   6.907627   4.537468   2.677235   0.000000
    26  H    8.414378   7.723422   4.726272   3.740781   1.784191
    27  H    7.232737   6.421754   4.542471   2.671398   1.756392
                   26         27
    26  H    0.000000
    27  H    1.784298   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.01D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1966492           0.4951118           0.4859240
 Leave Link  202 at Thu Aug 12 19:52:43 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       607.0736928418 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0445856521 Hartrees.
 Nuclear repulsion after empirical dispersion term =      607.0291071897 Hartrees.
 Leave Link  301 at Thu Aug 12 19:52:45 2021, MaxMem=  5368709120 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.84D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 19:52:45 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:52:45 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:52:46 2021, MaxMem=  5368709120 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.980423062994    
 DIIS: error= 1.95D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.980423062994     IErMin= 1 ErrMin= 1.95D-03
 ErrMax= 1.95D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-03 BMatP= 5.04D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.95D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.189 Goal=   None    Shift=    0.000
 GapD=    0.189 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.89D-02 MaxDP=5.90D+00              OVMax= 1.33D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.16D-02    CP:  1.75D+00
 E= -465.984648294246     Delta-E=       -0.004225231252 Rises=F Damp=F
 DIIS: error= 2.86D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.984648294246     IErMin= 2 ErrMin= 2.86D-04
 ErrMax= 2.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-04 BMatP= 5.04D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.86D-03
 Coeff-Com:  0.202D-01 0.980D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.202D-01 0.980D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.24D-03 MaxDP=1.88D-01 DE=-4.23D-03 OVMax= 7.68D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.78D-04    CP:  1.77D+00  1.03D+00
 E= -465.984406512640     Delta-E=        0.000241781606 Rises=F Damp=F
 DIIS: error= 6.57D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.984648294246     IErMin= 2 ErrMin= 2.86D-04
 ErrMax= 6.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.17D-04 BMatP= 1.07D-04
 IDIUse=3 WtCom= 2.81D-01 WtEn= 7.19D-01
 Coeff-Com: -0.748D-02 0.672D+00 0.336D+00
 Coeff-En:   0.000D+00 0.745D+00 0.255D+00
 Coeff:     -0.210D-02 0.724D+00 0.278D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.12D-04 MaxDP=8.66D-03 DE= 2.42D-04 OVMax= 4.35D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.35D-05    CP:  1.77D+00  1.03D+00  8.72D-01
 E= -465.984731834412     Delta-E=       -0.000325321773 Rises=F Damp=F
 DIIS: error= 7.10D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.984731834412     IErMin= 4 ErrMin= 7.10D-05
 ErrMax= 7.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.76D-06 BMatP= 1.07D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.475D-02 0.248D+00 0.335D-01 0.724D+00
 Coeff:     -0.475D-02 0.248D+00 0.335D-01 0.724D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=5.85D-05 MaxDP=4.21D-03 DE=-3.25D-04 OVMax= 7.42D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.73D-05    CP:  1.77D+00  1.03D+00  8.31D-01  1.25D+00
 E= -465.984738491931     Delta-E=       -0.000006657518 Rises=F Damp=F
 DIIS: error= 2.24D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.984738491931     IErMin= 5 ErrMin= 2.24D-05
 ErrMax= 2.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-07 BMatP= 7.76D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-02 0.243D-01-0.261D-01 0.357D+00 0.646D+00
 Coeff:     -0.111D-02 0.243D-01-0.261D-01 0.357D+00 0.646D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.62D-05 MaxDP=2.27D-03 DE=-6.66D-06 OVMax= 2.81D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.30D-06    CP:  1.77D+00  1.03D+00  8.43D-01  1.24D+00  7.92D-01
 E= -465.984738911612     Delta-E=       -0.000000419682 Rises=F Damp=F
 DIIS: error= 6.46D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.984738911612     IErMin= 6 ErrMin= 6.46D-06
 ErrMax= 6.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.40D-08 BMatP= 4.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.489D-03 0.451D-02-0.171D-01 0.189D+00 0.394D+00 0.430D+00
 Coeff:     -0.489D-03 0.451D-02-0.171D-01 0.189D+00 0.394D+00 0.430D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=3.01D-06 MaxDP=2.11D-04 DE=-4.20D-07 OVMax= 1.28D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.58D-06    CP:  1.77D+00  1.03D+00  8.43D-01  1.24D+00  8.21D-01
                    CP:  8.72D-01
 E= -465.984738966406     Delta-E=       -0.000000054794 Rises=F Damp=F
 DIIS: error= 1.84D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.984738966406     IErMin= 7 ErrMin= 1.84D-06
 ErrMax= 1.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-09 BMatP= 5.40D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.862D-04-0.946D-03-0.468D-02 0.435D-01 0.100D+00 0.196D+00
 Coeff-Com:  0.666D+00
 Coeff:     -0.862D-04-0.946D-03-0.468D-02 0.435D-01 0.100D+00 0.196D+00
 Coeff:      0.666D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=8.22D-07 MaxDP=6.66D-05 DE=-5.48D-08 OVMax= 3.16D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.30D-07    CP:  1.77D+00  1.03D+00  8.44D-01  1.24D+00  8.22D-01
                    CP:  8.76D-01  9.45D-01
 E= -465.984738968167     Delta-E=       -0.000000001761 Rises=F Damp=F
 DIIS: error= 6.82D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.984738968167     IErMin= 8 ErrMin= 6.82D-07
 ErrMax= 6.82D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.47D-10 BMatP= 2.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.570D-05-0.910D-03-0.110D-02 0.752D-02 0.209D-01 0.725D-01
 Coeff-Com:  0.402D+00 0.499D+00
 Coeff:     -0.570D-05-0.910D-03-0.110D-02 0.752D-02 0.209D-01 0.725D-01
 Coeff:      0.402D+00 0.499D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=3.53D-07 MaxDP=2.64D-05 DE=-1.76D-09 OVMax= 7.62D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.30D-07    CP:  1.77D+00  1.03D+00  8.44D-01  1.24D+00  8.21D-01
                    CP:  8.83D-01  9.43D-01  7.80D-01
 E= -465.984738968685     Delta-E=       -0.000000000518 Rises=F Damp=F
 DIIS: error= 9.14D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.984738968685     IErMin= 9 ErrMin= 9.14D-08
 ErrMax= 9.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.60D-12 BMatP= 5.47D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.422D-05-0.263D-03-0.270D-04-0.754D-03-0.133D-03 0.103D-01
 Coeff-Com:  0.969D-01 0.176D+00 0.718D+00
 Coeff:      0.422D-05-0.263D-03-0.270D-04-0.754D-03-0.133D-03 0.103D-01
 Coeff:      0.969D-01 0.176D+00 0.718D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=7.25D-08 MaxDP=4.98D-06 DE=-5.18D-10 OVMax= 8.44D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.66D-08    CP:  1.77D+00  1.03D+00  8.44D-01  1.24D+00  8.22D-01
                    CP:  8.84D-01  9.50D-01  8.04D-01  9.63D-01
 E= -465.984738968693     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 2.95D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.984738968693     IErMin=10 ErrMin= 2.95D-08
 ErrMax= 2.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-12 BMatP= 9.60D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.233D-05-0.812D-04 0.350D-04-0.664D-03-0.868D-03 0.143D-02
 Coeff-Com:  0.273D-01 0.570D-01 0.339D+00 0.577D+00
 Coeff:      0.233D-05-0.812D-04 0.350D-04-0.664D-03-0.868D-03 0.143D-02
 Coeff:      0.273D-01 0.570D-01 0.339D+00 0.577D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.73D-08 MaxDP=8.06D-07 DE=-8.19D-12 OVMax= 2.25D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.17D-08    CP:  1.77D+00  1.03D+00  8.44D-01  1.24D+00  8.22D-01
                    CP:  8.84D-01  9.51D-01  8.13D-01  9.89D-01  9.21D-01
 E= -465.984738968698     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 9.40D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.984738968698     IErMin=11 ErrMin= 9.40D-09
 ErrMax= 9.40D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.53D-14 BMatP= 1.21D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.470D-06-0.663D-05 0.164D-04-0.192D-03-0.319D-03-0.471D-03
 Coeff-Com:  0.187D-02 0.455D-02 0.608D-01 0.220D+00 0.714D+00
 Coeff:      0.470D-06-0.663D-05 0.164D-04-0.192D-03-0.319D-03-0.471D-03
 Coeff:      0.187D-02 0.455D-02 0.608D-01 0.220D+00 0.714D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=5.80D-09 MaxDP=7.13D-07 DE=-5.00D-12 OVMax= 6.54D-08

 SCF Done:  E(RB3LYP) =  -465.984738969     A.U. after   11 cycles
            NFock= 11  Conv=0.58D-08     -V/T= 2.0062
 KE= 4.631328499023D+02 PE=-2.295751015716D+03 EE= 7.596043196549D+02
 Leave Link  502 at Thu Aug 12 19:56:12 2021, MaxMem=  5368709120 cpu:            1640.1 elap:             205.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.10593290D+03

 Leave Link  801 at Thu Aug 12 19:56:12 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 7.11D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 3.03D-01 9.85D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 7.14D-02 1.06D-01.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 9.87D-03 2.93D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 1.33D-03 7.11D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 5.68D-05 1.05D-03.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.26D-06 1.40D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 2.34D-08 4.22D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 5.15D-10 5.82D-06.
      8 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 8.82D-12 6.27D-07.
      4 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 1.10D-13 3.97D-08.
      1 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.78D-14 1.24D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.181785D+03
      2  0.625565D+01  0.112423D+03
      3 -0.261266D+01 -0.305059D+01  0.116685D+03
 Isotropic polarizability for W=    0.085645      136.96 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.102536D+03  0.299386D+02 -0.162509D+01
      2  -0.819380D+02 -0.116805D+01  0.261931D+01
      3  -0.205985D+02 -0.287706D+02 -0.994219D+00
      4   0.391462D+02 -0.101847D+03 -0.362352D+02
      5  -0.290112D+02 -0.357734D+02 -0.994768D+01
      6  -0.171619D+02 -0.302975D+02  0.117120D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.476168D+01 -0.768327D+01 -0.798536D+01
      2   0.356336D+02 -0.124611D+02 -0.556938D+01
      3  -0.291511D+02  0.427358D+02  0.162964D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.461758D+00 -0.329168D+02 -0.404825D+02
      2   0.273861D+02 -0.190733D+02  0.106508D+02
      3   0.920760D+01  0.199086D+02  0.186115D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.203307D+01 -0.767892D+01  0.537476D+01
      2  -0.767892D+01  0.999015D+00 -0.547167D+01
      3   0.537476D+01 -0.547167D+01 -0.395851D+01
 OR G Eigenvalues:    -7.5416    -6.1166    12.7318  Iso=     0.3088
 Eigenvectors:
   (1)  -0.151436   0.433096   0.888535
   (2)   0.736853   0.648635  -0.190578
   (3)   0.658874  -0.625859   0.417355
 w=    0.085645 a.u., Optical Rotation Beta=      0.3088 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       96.20 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.50D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.73D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.46D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 3.15D-02 3.86D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 1.83D-03 6.95D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 2.56D-05 6.16D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 3.35D-07 6.86D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 2.67D-09 4.77D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 8.15D-12 2.90D-07.
     12 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 2.52D-14 1.31D-08.
      1 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.29D-15 5.76D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   223 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.27D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.27D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.32D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.181785D+03  0.625565D+01 -0.261266D+01
      2   0.625565D+01  0.112423D+03 -0.305059D+01
      3  -0.261266D+01 -0.305059D+01  0.116685D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.476168D+01 -0.768327D+01 -0.798536D+01
      2   0.356336D+02 -0.124611D+02 -0.556938D+01
      3  -0.291511D+02  0.427358D+02  0.162964D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.102536D+03  0.299386D+02 -0.162509D+01
      2  -0.819380D+02 -0.116805D+01  0.261931D+01
      3  -0.205985D+02 -0.287706D+02 -0.994219D+00
      4   0.391462D+02 -0.101847D+03 -0.362352D+02
      5  -0.290112D+02 -0.357734D+02 -0.994768D+01
      6  -0.171619D+02 -0.302975D+02  0.117120D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.442254D+01 -0.460376D+01 -0.468776D+01 -0.511383D+01 -0.174238D+01
      2  -0.460376D+01 -0.188369D+01  0.808771D+00 -0.174238D+01  0.162989D+01
      3  -0.468776D+01  0.808771D+00  0.154943D+01  0.119344D+01 -0.430628D+01
                 6             7             8             9            10 
      1   0.119344D+01 -0.316109D+01  0.122702D+01  0.161204D+01 -0.298043D+02
      2  -0.430628D+01  0.122702D+01 -0.329560D+01  0.485120D+00  0.757150D+01
      3   0.115484D+01  0.161204D+01  0.485120D+00  0.350713D+01  0.383115D+01
                11            12            13            14            15 
      1   0.757150D+01  0.383115D+01  0.132045D+02 -0.831508D+00 -0.167086D+01
      2   0.144395D+01 -0.667763D+00 -0.831508D+00  0.765052D+00  0.327378D+01
      3  -0.667763D+00 -0.197052D+01 -0.167086D+01  0.327378D+01 -0.228209D+00
                16            17            18            19            20 
      1   0.178752D+02 -0.216319D+01 -0.280324D+01  0.582350D+02  0.526469D-01
      2  -0.216319D+01  0.470178D+01  0.596507D+00  0.526469D-01  0.533323D+01
      3  -0.280324D+01  0.596507D+00 -0.532101D+01 -0.429170D-01  0.144773D+01
                21            22            23            24            25 
      1  -0.429170D-01 -0.570213D+01  0.994371D+01  0.336619D+01 -0.600097D+01
      2   0.144773D+01  0.994371D+01  0.113581D+01 -0.566610D+00  0.250912D+01
      3   0.746664D+00  0.336619D+01 -0.566610D+00 -0.313634D+01  0.863864D+00
                26            27            28            29            30 
      1   0.250912D+01  0.863864D+00 -0.713456D+02 -0.360837D+01 -0.727858D+00
      2  -0.153207D+01 -0.257494D+01 -0.360837D+01 -0.392841D+01 -0.931066D+00
      3  -0.257494D+01  0.509367D+01 -0.727858D+00 -0.931066D+00 -0.168897D+01
                31            32            33            34            35 
      1  -0.125097D+02 -0.610734D+01 -0.195812D+01  0.952646D+01 -0.258892D+00
      2  -0.610734D+01 -0.324478D+01 -0.524684D+00 -0.258892D+00  0.104663D+01
      3  -0.195812D+01 -0.524684D+00  0.149667D+01 -0.226952D+01  0.186832D+01
                36            37            38            39            40 
      1  -0.226952D+01  0.616723D+02  0.319857D+01  0.329457D+01  0.141987D+02
      2   0.186832D+01  0.319857D+01  0.204359D+01  0.883151D+00  0.470743D+01
      3  -0.335933D+01  0.329457D+01  0.883151D+00  0.137045D+01  0.125731D+01
                41            42            43            44            45 
      1   0.470743D+01  0.125731D+01 -0.134846D+02 -0.814208D+00  0.417315D+01
      2   0.267335D+01 -0.550453D+00 -0.814208D+00 -0.207433D+01 -0.205351D+01
      3  -0.550453D+00 -0.200643D+01  0.417315D+01 -0.205351D+01  0.255258D+01
                46            47            48            49            50 
      1  -0.190115D+02 -0.108348D+01 -0.239289D+01  0.692815D+01  0.765656D+00
      2  -0.108348D+01  0.122740D+01  0.531216D+00  0.765656D+00  0.659913D+00
      3  -0.239289D+01  0.531216D+00  0.273930D+00  0.388187D+01 -0.857911D+00
                51            52            53            54            55 
      1   0.388187D+01 -0.290107D+02  0.166074D+01 -0.990005D+01  0.533211D+01
      2  -0.857911D+00  0.166074D+01  0.620959D+00  0.102656D+01 -0.700790D+00
      3   0.167156D+01 -0.990005D+01  0.102656D+01 -0.606549D+01  0.253444D+01
                56            57            58            59            60 
      1  -0.700790D+00  0.253444D+01 -0.103390D+02  0.210069D+01 -0.349874D+01
      2   0.219258D+00 -0.638807D+00  0.210069D+01 -0.199055D+01  0.302021D+01
      3  -0.638807D+00  0.123037D+01 -0.349874D+01  0.302021D+01 -0.165400D+01
                61            62            63            64            65 
      1   0.298259D+02 -0.801825D+00  0.112722D+02  0.950743D+01 -0.626879D+01
      2  -0.801825D+00  0.108205D+01 -0.138375D+01 -0.626879D+01 -0.155051D+01
      3   0.112722D+02 -0.138375D+01  0.110862D+02 -0.186833D+01  0.108659D+01
                66            67            68            69            70 
      1  -0.186833D+01 -0.612733D+01 -0.988899D+00  0.130323D+01 -0.675603D+01
      2   0.108659D+01 -0.988899D+00 -0.835745D+00 -0.273831D+01  0.179633D+01
      3   0.133039D+01  0.130323D+01 -0.273831D+01  0.143505D+01  0.179526D+01
                71            72            73            74            75 
      1   0.179633D+01  0.179526D+01  0.873512D+00  0.112585D+01 -0.127892D+01
      2  -0.354138D+01 -0.130181D+00  0.112585D+01 -0.465911D+01 -0.207339D+01
      3  -0.130181D+00  0.697180D+01 -0.127892D+01 -0.207339D+01  0.308693D+01
                76            77            78            79            80 
      1   0.169669D+01 -0.468461D+01 -0.294915D+01 -0.243633D+01 -0.273655D+01
      2  -0.468461D+01 -0.308580D+01 -0.124213D+01 -0.273655D+01 -0.165658D+01
      3  -0.294915D+01 -0.124213D+01 -0.806812D+00  0.514424D+01 -0.107957D+00
                81            82            83            84            85 
      1   0.514424D+01 -0.119147D+02 -0.783347D+01 -0.152180D+01 -0.933742D+01
      2  -0.107957D+00 -0.783347D+01 -0.213105D+01  0.947452D+00 -0.459916D+01
      3   0.233538D+01 -0.152180D+01  0.947452D+00 -0.548703D+00  0.538248D+00
                86            87            88            89            90 
      1  -0.459916D+01  0.538248D+00  0.743351D+01  0.242703D+01 -0.429405D-01
      2   0.202272D+01  0.138815D+01  0.242703D+01  0.288637D+01  0.513397D+01
      3   0.138815D+01  0.354347D+01 -0.429405D-01  0.513397D+01 -0.391223D+00
                91            92            93            94            95 
      1  -0.154724D+01  0.177328D+01 -0.525351D+01  0.299766D+01 -0.481465D+00
      2   0.177328D+01  0.124777D+01 -0.123098D+01 -0.481465D+00 -0.447570D+01
      3  -0.525351D+01 -0.123098D+01 -0.893280D+00 -0.106865D+01  0.354163D+01
                96            97            98            99           100 
      1  -0.106865D+01 -0.829586D+01 -0.103533D+01 -0.368938D+01 -0.479284D+01
      2   0.354163D+01 -0.103533D+01  0.291337D+01  0.110530D+01 -0.259605D+00
      3   0.170416D+01 -0.368938D+01  0.110530D+01  0.437818D+01 -0.258554D+01
               101           102           103           104           105 
      1  -0.259605D+00 -0.258554D+01  0.791382D+00 -0.554069D+00  0.777601D+00
      2  -0.422871D+00  0.108499D+00 -0.554069D+00  0.408865D+00 -0.593878D+00
      3   0.108499D+00 -0.247159D+01  0.777601D+00 -0.593878D+00  0.764693D+00
               106           107           108           109           110 
      1  -0.441610D+01  0.225923D+00 -0.429848D+01 -0.782052D+01 -0.206205D+01
      2   0.225923D+00 -0.138797D+01 -0.151105D+00 -0.206205D+01 -0.103786D+01
      3  -0.429848D+01 -0.151105D+00 -0.527762D+01  0.262120D+01  0.816221D+00
               111           112           113           114           115 
      1   0.262120D+01 -0.158283D+01 -0.149031D+01  0.902886D+00  0.571482D+01
      2   0.816221D+00 -0.149031D+01 -0.108690D+01  0.804406D+00  0.165229D+01
      3  -0.210962D+01  0.902886D+00  0.804406D+00 -0.548492D+00 -0.372905D+01
               116           117           118           119           120 
      1   0.165229D+01 -0.372905D+01  0.960088D-01  0.454428D+00 -0.843986D+00
      2   0.160999D+01 -0.922183D+00  0.454428D+00 -0.266131D+00 -0.229142D+00
      3  -0.922183D+00  0.267091D+01 -0.843986D+00 -0.229142D+00  0.311079D+00
               121           122           123           124           125 
      1   0.177647D+01 -0.595776D+00 -0.759095D-01 -0.100885D+01 -0.133255D-01
      2  -0.595776D+00  0.540622D+00 -0.985476D+00 -0.133255D-01 -0.145171D+01
      3  -0.759095D-01 -0.985476D+00  0.150260D+01 -0.233433D+00  0.957909D+00
               126           127           128           129           130 
      1  -0.233433D+00  0.925207D+00 -0.102192D+00  0.623472D+00  0.532656D+00
      2   0.957909D+00 -0.102192D+00  0.124261D+01 -0.559016D+00  0.355020D+00
      3  -0.697334D+01  0.623472D+00 -0.559016D+00  0.624611D+00 -0.264268D+00
               131           132           133           134           135 
      1   0.355020D+00 -0.264268D+00  0.111947D+01 -0.263850D+00  0.118782D+00
      2  -0.423458D+01  0.180736D+01 -0.263850D+00  0.357772D+01 -0.284284D+01
      3   0.180736D+01 -0.190966D+01  0.118782D+00 -0.284284D+01  0.345810D+01
               136           137           138           139           140 
      1   0.185636D+01 -0.319755D+00 -0.506320D+00  0.161705D+01 -0.877466D+00
      2  -0.319755D+00  0.336489D+00 -0.920522D-02 -0.877466D+00 -0.679982D+01
      3  -0.506320D+00 -0.920522D-02  0.121459D+00 -0.485795D+00 -0.334101D+01
               141           142           143           144           145 
      1  -0.485795D+00 -0.290378D+01 -0.144756D+01 -0.851107D+00  0.339482D+00
      2  -0.334101D+01 -0.144756D+01 -0.573992D+01 -0.452038D+01 -0.336354D+00
      3  -0.257852D+01 -0.851107D+00 -0.452038D+01 -0.414681D+01  0.966914D+00
               146           147           148           149           150 
      1  -0.336354D+00  0.966914D+00 -0.480703D+00  0.626835D+00 -0.108326D+00
      2   0.661309D+00 -0.318725D+00  0.626835D+00 -0.425817D+01  0.250833D+01
      3  -0.318725D+00  0.430950D+00 -0.108326D+00  0.250833D+01 -0.356057D+01
               151           152           153           154           155 
      1   0.691661D+00 -0.250218D+00  0.486427D-01 -0.695900D+01  0.263139D+01
      2  -0.250218D+00  0.203412D+01 -0.189276D+01  0.263139D+01 -0.169044D+01
      3   0.486427D-01 -0.189276D+01  0.280386D+01  0.403106D+01 -0.153233D+01
               156           157           158           159           160 
      1   0.403106D+01  0.195637D+01 -0.155650D+01 -0.138046D+01  0.150108D+01
      2  -0.153233D+01 -0.155650D+01  0.161478D+01  0.174843D+01 -0.982489D+00
      3  -0.375720D+01 -0.138046D+01  0.174843D+01  0.157585D+01 -0.242377D+01
               161           162           163           164           165 
      1  -0.982489D+00 -0.242377D+01  0.339517D+01  0.200261D+01  0.135093D+01
      2   0.974399D+00  0.110197D+01  0.200261D+01  0.244225D+01  0.125938D+01
      3   0.110197D+01  0.268838D+01  0.135093D+01  0.125938D+01  0.209165D+01
               166           167           168           169           170 
      1   0.155572D+01  0.164182D+01  0.654940D+00  0.244581D+00  0.475665D+00
      2   0.164182D+01  0.301285D+01  0.196548D+01  0.475665D+00  0.960512D+00
      3   0.654940D+00  0.196548D+01  0.182575D+01  0.763367D+00  0.907106D+00
               171           172           173           174           175 
      1   0.763367D+00  0.215669D+01  0.232825D+01  0.396467D+00  0.175251D+01
      2   0.907106D+00  0.232825D+01  0.448347D+01 -0.172124D+00  0.172297D+01
      3   0.127524D+01  0.396467D+00 -0.172124D+00  0.844420D+00  0.383710D-01
               176           177           178           179           180 
      1   0.172297D+01  0.383710D-01  0.766581D+00 -0.463533D-01  0.233798D+00
      2   0.559598D+01  0.188526D+00 -0.463533D-01  0.123876D+01  0.847553D+00
      3   0.188526D+00  0.650698D+00  0.233798D+00  0.847553D+00 -0.265211D+00
               181           182           183           184           185 
      1  -0.825986D+01  0.498355D+01  0.118114D+01  0.162132D+01 -0.281836D+01
      2   0.498355D+01 -0.355477D+01 -0.555122D+00 -0.281836D+01  0.325710D+01
      3   0.118114D+01 -0.555122D+00 -0.142881D+01 -0.711683D+00  0.684081D+00
               186           187           188           189           190 
      1  -0.711683D+00  0.379618D+01 -0.184635D+01 -0.150993D+01 -0.142766D+01
      2   0.684081D+00 -0.184635D+01  0.220055D+01  0.954716D+00  0.847416D+00
      3   0.446106D+00 -0.150993D+01  0.954716D+00  0.542218D+00 -0.976234D+00
               191           192           193           194           195 
      1   0.847416D+00 -0.976234D+00  0.333520D+00  0.657386D-02 -0.168120D+00
      2  -0.852514D-01  0.623837D-01  0.657386D-02 -0.698587D-01 -0.595116D+00
      3   0.623837D-01 -0.101217D+01 -0.168120D+00 -0.595116D+00 -0.604790D+00
               196           197           198           199           200 
      1  -0.128334D+01  0.455530D+00 -0.202416D+01 -0.151840D+01 -0.509412D+00
      2   0.455530D+00 -0.163542D+01  0.130356D+01 -0.509412D+00 -0.132254D-01
      3  -0.202416D+01  0.130356D+01 -0.841128D+01  0.839246D+00 -0.441655D-01
               201           202           203           204           205 
      1   0.839246D+00 -0.131904D+01  0.998842D+00  0.379072D+00  0.202400D+01
      2  -0.441655D-01  0.998842D+00 -0.819653D+00  0.123362D+01  0.603492D+00
      3  -0.441145D-01  0.379072D+00  0.123362D+01 -0.130730D+01 -0.460123D+00
               206           207           208           209           210 
      1   0.603492D+00 -0.460123D+00  0.150501D+01  0.683754D+00 -0.121786D+01
      2   0.132885D+01 -0.132027D+01  0.683754D+00  0.765932D-01 -0.709967D-01
      3  -0.132027D+01  0.479051D+01 -0.121786D+01 -0.709967D-01 -0.206557D+00
               211           212           213           214           215 
      1   0.951498D+00 -0.234690D+00 -0.714040D+00 -0.179196D+01 -0.522104D+00
      2  -0.234690D+00  0.632230D+00 -0.974866D+00 -0.522104D+00 -0.118684D+01
      3  -0.714040D+00 -0.974866D+00  0.190835D+01  0.828504D+00  0.180610D+01
               216           217           218           219           220 
      1   0.828504D+00  0.310518D+01 -0.731368D+00 -0.534333D+00 -0.252244D+01
      2   0.180610D+01 -0.731368D+00  0.213729D+00  0.490722D+00  0.122567D+01
      3  -0.639778D+01 -0.534333D+00  0.490722D+00  0.748570D+00  0.160941D+01
               221           222           223           224           225 
      1   0.122567D+01  0.160941D+01 -0.409200D+01  0.233241D+00  0.360481D+01
      2  -0.138562D+01 -0.223083D+01  0.233241D+00 -0.224262D+01 -0.171666D+01
      3  -0.223083D+01 -0.303428D+01  0.360481D+01 -0.171666D+01 -0.682804D+01
               226           227           228           229           230 
      1   0.962574D+01  0.236326D+00  0.229587D+01 -0.728242D+00  0.122137D+01
      2   0.236326D+00  0.100217D+01  0.150479D+00  0.122137D+01  0.359491D+00
      3   0.229587D+01  0.150479D+00  0.166173D+01  0.894248D-01  0.886720D-01
               231           232           233           234           235 
      1   0.894248D-01  0.547797D+01  0.422356D+00  0.226674D+01  0.135385D+01
      2   0.886720D-01  0.422356D+00  0.638060D+00 -0.274967D-01  0.529810D+00
      3  -0.267623D+00  0.226674D+01 -0.274967D-01  0.153325D+01  0.471791D+00
               236           237           238           239           240 
      1   0.529810D+00  0.471791D+00  0.384854D+01  0.224593D+01 -0.937865D+00
      2  -0.750501D+00  0.440228D+00  0.224593D+01  0.797853D+01 -0.274512D+01
      3   0.440228D+00 -0.291105D+00 -0.937865D+00 -0.274512D+01  0.196322D+01
               241           242           243 
      1  -0.135579D+01 -0.506483D+00  0.150981D+01
      2  -0.506483D+00 -0.206966D+01  0.154932D+01
      3   0.150981D+01  0.154932D+01 -0.225030D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.606606D+01 -0.486556D+01  0.970673D+00 -0.392397D+01  0.740191D+01
      2   0.830015D+01  0.858077D+01  0.941701D+01  0.654320D+01  0.134499D+02
      3  -0.899530D+01 -0.965726D+01 -0.206269D+01 -0.470765D+01  0.111259D+01
                 6             7             8             9            10 
      1  -0.139308D+02 -0.770530D+00 -0.647415D+01  0.598376D+00 -0.295667D+01
      2  -0.451049D+01  0.517753D+00 -0.220832D+01 -0.896699D+01 -0.254833D+02
      3  -0.721003D+01  0.271709D-01 -0.606888D+01  0.187326D+01  0.182999D+02
                11            12            13            14            15 
      1   0.276143D+01  0.108372D+01  0.460652D+01 -0.528497D+01 -0.364285D+01
      2   0.173122D+01  0.792698D+01  0.435917D+01 -0.111377D+02 -0.591497D+00
      3   0.556036D+01  0.254142D+01  0.164084D+02  0.670164D+01  0.755288D+01
                16            17            18            19            20 
      1   0.388117D+01  0.679629D+01  0.426044D+01  0.796718D-01 -0.181791D+01
      2   0.117638D+02 -0.150981D+01  0.121471D+02  0.333001D+02  0.108744D+01
      3  -0.571035D+01  0.878667D+01 -0.146455D+00 -0.259530D+02 -0.633727D+01
                21            22            23            24            25 
      1  -0.125512D+01 -0.888816D+01 -0.302684D+01 -0.283223D+01 -0.379653D+01
      2   0.275758D+01 -0.311418D+01  0.713927D+01  0.565354D+01 -0.173746D+02
      3  -0.768282D+00 -0.866986D+00 -0.878776D+01 -0.231310D+01  0.605751D-01
                26            27            28            29            30 
      1   0.219865D+01  0.513090D+01  0.376670D+01 -0.416453D-01  0.178275D+00
      2   0.361457D+01 -0.368284D+01 -0.404819D+02 -0.423659D+01 -0.493321D+01
      3  -0.385787D+01 -0.190472D+01  0.214998D+02  0.827085D+01  0.173770D+01
                31            32            33            34            35 
      1   0.483451D+01  0.260944D+01 -0.239585D+01  0.294523D+01  0.260402D-01
      2  -0.137315D+02 -0.373350D+01 -0.128288D+01 -0.154164D+02 -0.164998D+01
      3   0.379935D+02  0.741645D+01  0.634909D-01  0.279979D+01  0.105567D+01
                36            37            38            39            40 
      1  -0.437551D+01 -0.210184D+01 -0.131303D+01 -0.747662D+00 -0.897370D+01
      2  -0.122395D+01  0.450350D+02  0.317923D+01  0.136723D+02  0.154131D+02
      3  -0.132749D+00 -0.176713D+02 -0.123657D+02 -0.185737D+01 -0.104876D+02
                41            42            43            44            45 
      1  -0.494903D+00 -0.533677D+01  0.173462D+01  0.789481D-01 -0.878045D+00
      2   0.299454D+01 -0.136018D+01 -0.146568D+02 -0.392618D+01  0.583068D+01
      3  -0.630993D+01  0.493149D+00 -0.531723D+00 -0.751213D+00  0.104386D+01
                46            47            48            49            50 
      1  -0.469538D+00  0.243011D+01  0.290377D+01 -0.660522D+01  0.421438D+01
      2  -0.740908D+01 -0.164179D+01 -0.697162D+01  0.842833D+01 -0.216079D+01
      3   0.278580D+01  0.138717D+02  0.419438D+01  0.256209D+02  0.112022D+01
                51            52            53            54            55 
      1  -0.768623D+01  0.188106D+01 -0.357590D+01 -0.277118D+01  0.159269D+01
      2   0.724342D+01 -0.554256D+02  0.591676D+00 -0.294730D+02  0.969477D+00
      3   0.135393D+01  0.550839D+01  0.991740D+01 -0.121532D+01 -0.264666D+00
                56            57            58            59            60 
      1  -0.626261D+00 -0.763759D+00  0.144012D+00 -0.297258D+01 -0.149941D+01
      2  -0.192417D+01  0.889402D+01 -0.112551D+02  0.890237D+01 -0.896441D+01
      3  -0.814600D+01  0.532893D+00 -0.685734D+01  0.688673D+01 -0.788063D+01
                61            62            63            64            65 
      1  -0.128228D+01  0.889839D+01  0.684354D+00  0.908945D+01 -0.198852D+01
      2   0.351849D+02 -0.431754D+01  0.453150D+02  0.100095D+02 -0.726459D+01
      3  -0.505673D+01 -0.131452D+02  0.265513D+01 -0.122300D+02 -0.217847D+02
                66            67            68            69            70 
      1  -0.420259D+01 -0.163653D+01  0.810976D+01 -0.163717D+01 -0.803491D+01
      2  -0.238678D+01 -0.599390D+01  0.577231D+01 -0.235009D+01 -0.107749D+02
      3  -0.170103D+01 -0.972030D+01 -0.736204D+01 -0.467372D+01  0.112383D+01
                71            72            73            74            75 
      1   0.536867D+01 -0.168325D+02 -0.339616D+00 -0.170119D+01  0.367513D+01
      2   0.156219D+01 -0.166102D+02  0.499599D+01  0.880374D+01 -0.106541D+02
      3  -0.575981D+01  0.351442D+01  0.644507D+01 -0.238760D+02 -0.844043D+01
                76            77            78            79            80 
      1  -0.164155D+01 -0.529192D+00 -0.222477D+01  0.561017D+01  0.178825D+01
      2   0.114501D+02  0.326289D+01  0.886053D+00 -0.248337D+02 -0.217642D+01
      3  -0.153054D+02 -0.540386D+01 -0.266074D+01 -0.934870D+01 -0.207494D+01
                81            82            83            84            85 
      1   0.229004D+01  0.244008D+01  0.487108D+01 -0.200369D+01  0.651782D+01
      2  -0.617986D+01 -0.721757D+01 -0.752872D+01  0.156052D+01 -0.971143D+01
      3  -0.492078D+01 -0.458585D+01  0.949511D+01  0.347689D+01  0.226793D+02
                86            87            88            89            90 
      1   0.447184D+01  0.702693D+01 -0.330696D+01  0.163164D+02 -0.355057D+01
      2  -0.558384D+01 -0.549713D+01  0.998896D+00 -0.685845D+01  0.148442D+01
      3   0.105096D+02  0.659330D+00  0.300723D+01  0.367326D+00  0.106665D+02
                91            92            93            94            95 
      1   0.299905D+00 -0.249428D+01  0.110404D+01  0.757309D+01  0.333270D+01
      2  -0.214301D+02 -0.319929D+01 -0.399749D+01 -0.421874D+01  0.153186D+02
      3  -0.910913D+01 -0.115353D+02  0.293024D+01  0.161659D+02  0.221013D+02
                96            97            98            99           100 
      1  -0.867937D+01  0.551911D+01 -0.107989D+01 -0.447137D+01 -0.201590D+01
      2   0.837689D+01 -0.261565D+02  0.366810D+01  0.163272D+02  0.562248D+01
      3  -0.207827D+02  0.527359D+01 -0.116444D+02 -0.776145D+01  0.339286D+01
               101           102           103           104           105 
      1   0.120238D+01 -0.217281D+01  0.458317D+00 -0.112430D+01 -0.967727D-01
      2  -0.914453D+00  0.941608D+01 -0.232521D+01  0.178563D+01 -0.246914D+01
      3  -0.262224D+01  0.280770D+01  0.118111D-01  0.269436D+01 -0.238927D+01
               106           107           108           109           110 
      1  -0.358889D+01  0.312760D+01 -0.446329D+01  0.286664D+01 -0.176514D+00
      2   0.101270D+02  0.156080D+00  0.171687D+02 -0.101910D+02 -0.327016D+01
      3   0.490871D+01 -0.627507D+01  0.343477D+01  0.125664D+01 -0.460016D+01
               111           112           113           114           115 
      1  -0.275997D+01  0.179319D+01  0.516565D+00 -0.164709D+01 -0.320544D+01
      2   0.107241D+02 -0.373263D+01 -0.331293D+01  0.273661D+01  0.120427D+02
      3   0.284995D+00 -0.342766D+00 -0.254234D+01  0.183271D+01  0.740105D+00
               116           117           118           119           120 
      1   0.927892D+00  0.325530D+01 -0.821996D+00 -0.101495D+00  0.220731D+00
      2   0.308192D+01 -0.118716D+02  0.296394D+01  0.457832D+00  0.785011D+00
      3   0.591238D+01  0.451012D+00  0.289943D+00 -0.100092D+01  0.509061D+00
               121           122           123           124           125 
      1  -0.183205D+01 -0.160023D+01  0.101242D+00 -0.706039D+00  0.447690D+01
      2   0.914682D+00  0.489029D-01 -0.185298D+01 -0.380678D+01 -0.816464D+00
      3   0.307771D+01  0.416082D+00 -0.434330D+00  0.934255D+00 -0.102140D+01
               126           127           128           129           130 
      1  -0.375569D+01  0.225994D+01 -0.142673D+01  0.235255D+01 -0.117879D+01
      2   0.677241D+01 -0.896887D+00  0.117076D+01 -0.743222D-01  0.187213D+01
      3   0.110042D+01 -0.237533D+01  0.836937D+00 -0.258466D+01  0.207293D+01
               131           132           133           134           135 
      1   0.493950D+01 -0.683779D+01  0.840436D+00 -0.576051D+01  0.115492D+02
      2  -0.290203D+01  0.298926D+01 -0.184568D+01  0.475834D+01 -0.570260D+01
      3  -0.832312D+01  0.402694D+01 -0.456609D+01  0.703221D+01 -0.627546D+01
               136           137           138           139           140 
      1  -0.162367D+01 -0.628744D+00  0.291857D+00 -0.464138D+00 -0.232201D+01
      2   0.198275D+01  0.168672D+00  0.601328D+00  0.326829D+00  0.523517D+01
      3  -0.187584D+01 -0.786004D-01  0.926199D+00  0.160716D+01 -0.116468D+02
               141           142           143           144           145 
      1  -0.663248D+01  0.220345D+00 -0.451870D+01 -0.799897D+01 -0.144538D+01
      2   0.453642D+01 -0.257791D+01  0.683169D+01  0.654923D+01 -0.426148D+01
      3  -0.542345D+01  0.261072D+01 -0.876495D+01 -0.762341D+01 -0.647348D+00
               146           147           148           149           150 
      1   0.249705D+01 -0.657427D+00  0.210727D+01 -0.134872D+02  0.445157D+01
      2   0.173526D+01 -0.175570D+01  0.369626D+01 -0.710175D+01  0.742058D+01
      3   0.487176D+00  0.193307D-01  0.286019D+01 -0.690105D+01  0.408105D+01
               151           152           153           154           155 
      1  -0.561799D+00  0.709058D+01 -0.475961D+01  0.206235D+01 -0.337302D+01
      2  -0.329353D+01  0.459563D+01 -0.567188D+01  0.443124D+01 -0.137699D+01
      3  -0.700781D+00  0.310397D+01 -0.319497D+01  0.628096D+00 -0.405912D+01
               156           157           158           159           160 
      1   0.850376D+00 -0.184250D+01  0.198495D+01  0.543316D+00 -0.652358D+00
      2   0.396002D+01 -0.273663D+01 -0.128808D+01 -0.159367D+01 -0.265498D+01
      3  -0.743544D+00 -0.560992D+00  0.302388D+01  0.256193D+01  0.507694D+00
               161           162           163           164           165 
      1   0.290272D+01 -0.367416D+00  0.280202D+01  0.479709D+01 -0.620187D+00
      2  -0.355412D-01 -0.158577D+01 -0.131577D+02 -0.744567D+01 -0.537466D+01
      3   0.209607D+01  0.472631D+00  0.905473D+01  0.492661D+01  0.347851D+01
               166           167           168           169           170 
      1   0.276955D+01  0.446073D+01  0.139796D+00  0.404786D+00  0.279420D+01
      2  -0.697651D+01 -0.808289D+01 -0.406287D+01 -0.435160D+01 -0.307419D+01
      3   0.684958D+01  0.626323D+01  0.443007D+01  0.134758D+01  0.176374D+01
               171           172           173           174           175 
      1   0.639759D+00 -0.253685D+01 -0.196008D+01 -0.336897D+01 -0.140923D+01
      2  -0.401112D+01  0.112339D+01  0.197771D+01  0.337128D-01  0.134990D+01
      3   0.276632D+01  0.154817D+02  0.155527D+02  0.759866D+00  0.111333D+02
               176           177           178           179           180 
      1  -0.377270D+01 -0.374180D+01 -0.684722D+00 -0.860726D+00  0.242656D-01
      2   0.122937D+01 -0.460200D+00 -0.106747D+01 -0.181433D+01  0.819662D+00
      3   0.185373D+02  0.568802D+00  0.163679D+01  0.294603D+01  0.284667D+01
               181           182           183           184           185 
      1  -0.546442D+01  0.301872D+01  0.500306D+01  0.331288D+01 -0.339808D+01
      2  -0.702456D+01  0.402768D+01  0.712902D+01  0.286686D+01 -0.344602D+01
      3  -0.261650D+01 -0.313643D+01  0.139109D+01  0.209906D+01  0.436055D+01
               186           187           188           189           190 
      1  -0.305736D+01  0.386213D+01 -0.149103D+01 -0.199333D+01  0.138027D+01
      2  -0.282885D+01  0.473873D+01 -0.288907D+01 -0.278512D+01  0.146580D+01
      3   0.466936D+00  0.769616D-01  0.361793D+01 -0.403947D+00  0.719025D+00
               191           192           193           194           195 
      1   0.207343D+00  0.234348D+01 -0.132553D+00  0.195495D+01  0.454492D+00
      2   0.212347D+00  0.267702D+01  0.225245D+00  0.144761D+01  0.145359D+01
      3   0.342768D+00 -0.142761D+01  0.943508D+00 -0.267527D+00 -0.144909D+01
               196           197           198           199           200 
      1   0.384777D+01  0.261208D+01  0.177553D+02 -0.155020D+00  0.570533D+00
      2   0.781620D+00 -0.258056D+01  0.195192D+02 -0.116706D+01 -0.495383D+00
      3  -0.194733D+01 -0.397602D+01  0.617001D+00  0.113730D+01 -0.112719D+00
               201           202           203           204           205 
      1  -0.180209D+00  0.507071D+01 -0.101071D+00 -0.148385D+01  0.100257D+01
      2  -0.584082D+00  0.178329D+01  0.196033D+01 -0.152614D-01 -0.444946D+01
      3  -0.563322D+00  0.681628D+00  0.458966D+00 -0.936125D+00 -0.278738D+01
               206           207           208           209           210 
      1   0.250923D+01  0.403689D+01 -0.168796D+01 -0.378644D-01 -0.406068D-01
      2   0.699657D+00  0.350072D+01 -0.144272D+01  0.453738D+00 -0.719604D+00
      3  -0.160301D+01  0.359819D+00 -0.325894D+01 -0.945319D+00 -0.805226D-01
               211           212           213           214           215 
      1   0.671423D+01 -0.668384D+00  0.175299D+00  0.231302D+01  0.444063D+01
      2  -0.180168D+01 -0.207956D+01  0.298500D+01 -0.341566D+01  0.286091D+01
      3   0.107782D+02 -0.199416D+00  0.242352D+01  0.374589D+01  0.303359D+01
               216           217           218           219           220 
      1  -0.227507D+00  0.140252D+00 -0.591358D+00 -0.875605D+00 -0.276674D+01
      2  -0.105966D+02  0.603971D+00  0.142727D+01  0.400296D+01  0.529479D+01
      3  -0.347700D+01  0.131563D+01 -0.269934D+01 -0.217601D+01 -0.897263D+01
               221           222           223           224           225 
      1   0.289747D+01  0.285419D+01 -0.315550D+01  0.455190D+01  0.537563D+01
      2  -0.873038D+01 -0.127875D+02  0.106259D+02 -0.743093D+01 -0.270222D+02
      3   0.636443D+01  0.115225D+02 -0.532089D+01  0.964032D+01  0.110777D+02
               226           227           228           229           230 
      1  -0.157459D+01 -0.142875D-01 -0.112389D+01 -0.894106D+00 -0.355849D+00
      2   0.166411D+02  0.738723D+00  0.117231D+02  0.262309D+00  0.739378D+00
      3   0.308659D+01 -0.644410D+01  0.682005D+00 -0.309671D+01 -0.906770D+00
               231           232           233           234           235 
      1  -0.506114D+00 -0.122950D+01  0.907292D+00 -0.678890D+00  0.479547D+00
      2  -0.105291D+01  0.105030D+02 -0.169726D+00  0.894697D+01  0.141167D+01
      3  -0.461628D+00  0.407680D+00 -0.351117D+01  0.101709D+01  0.106262D+01
               236           237           238           239           240 
      1   0.802771D+00 -0.205156D+00 -0.240609D+01 -0.622976D+01 -0.218161D+00
      2   0.201935D+01  0.510852D+00  0.811185D+00 -0.972685D+01  0.739871D+01
      3   0.384814D+01 -0.234115D+01 -0.917708D+01 -0.361893D+02  0.132718D+02
               241           242           243 
      1   0.404479D-01  0.215716D+01 -0.220528D-02
      2   0.392991D+01  0.590928D+01 -0.769163D+01
      3   0.125300D+01  0.918068D+01 -0.684032D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.199106D+01  0.199143D+02  0.198164D+02  0.168663D+02  0.133850D+02
      2   0.183855D+01 -0.163127D+02 -0.141644D+02 -0.140794D+02  0.483923D+01
      3  -0.382961D+01 -0.360158D+01 -0.565206D+01 -0.278692D+01 -0.182243D+02
      4   0.213046D+02 -0.322134D+01 -0.125249D+02 -0.924785D+00 -0.102985D+02
      5   0.279349D+02 -0.183154D+02 -0.207009D+02 -0.199792D+02  0.122064D+02
      6  -0.190134D+02 -0.494833D+01  0.542330D+01 -0.260161D+01  0.659568D+00
                 6             7             8             9            10 
      1  -0.461672D+01  0.129492D+02 -0.549660D+01 -0.149904D+02 -0.278937D+02
      2  -0.366903D+01 -0.840741D+01 -0.408362D+01 -0.134786D+01  0.298637D+02
      3   0.828575D+01 -0.454184D+01  0.958023D+01  0.163382D+02 -0.196994D+01
      4   0.169356D+02 -0.127308D+02  0.135616D+02  0.121531D+01 -0.421857D+02
      5  -0.152934D+01 -0.193810D+02  0.124681D+01 -0.846861D+01 -0.147375D+02
      6  -0.125824D+02  0.516227D+01 -0.120305D+02  0.832792D+01  0.881977D+01
                11            12            13            14            15 
      1  -0.239046D+02 -0.914349D+01 -0.327808D+02 -0.288928D+02 -0.606772D+01
      2   0.163348D+02  0.487998D+01  0.211627D+02  0.105308D+02  0.785179D+01
      3   0.756988D+01  0.426352D+01  0.116181D+02  0.183620D+02 -0.178407D+01
      4   0.323239D+01  0.579365D+01 -0.250584D+01 -0.342134D+01 -0.169915D+02
      5   0.427848D+01  0.123725D+02  0.675466D+01 -0.147940D+02  0.205697D+01
      6  -0.494083D+01 -0.136235D+01 -0.267538D+01  0.151195D+02  0.108235D+01
                16            17            18            19            20 
      1   0.315582D+01 -0.388075D+01  0.140027D+02  0.836931D+02  0.121880D+02
      2  -0.127862D+02  0.111929D+02 -0.618255D+01 -0.801922D+02 -0.142870D+02
      3   0.963037D+01 -0.731217D+01 -0.782019D+01 -0.350089D+01  0.209908D+01
      4   0.109103D+02 -0.233128D+02 -0.265907D+01  0.925112D+01 -0.204955D+02
      5   0.135411D+02 -0.104958D+01  0.229363D+02 -0.751635D+01 -0.528227D+01
      6  -0.407183D+01 -0.177415D+01 -0.112334D+02 -0.180441D+02 -0.466619D+01
                21            22            23            24            25 
      1   0.438213D+01  0.141744D+02  0.119104D+02 -0.132711D+01  0.146380D+01
      2  -0.654451D+01 -0.178374D+02 -0.126860D+02 -0.347068D+01  0.343142D+01
      3   0.216238D+01  0.366299D+01  0.775536D+00  0.479779D+01 -0.489522D+01
      4  -0.530016D+01 -0.342638D+02 -0.358451D+01  0.431199D+01 -0.100960D+02
      5   0.510069D-01 -0.103471D+02  0.757737D+00  0.787660D+01 -0.231465D+01
      6  -0.101657D+01 -0.715942D+01 -0.439143D+01  0.101785D+01 -0.814047D+00
                26            27            28            29            30 
      1  -0.256854D+01  0.751295D+01 -0.143299D+03 -0.651495D+01 -0.762991D+01
      2  -0.430377D+01  0.121130D+02  0.106755D+03  0.542827D+01  0.474928D+01
      3   0.687231D+01 -0.196259D+02  0.365436D+02  0.108668D+01  0.288063D+01
      4   0.974870D+01  0.546144D+01  0.304899D+01 -0.101882D+02 -0.165634D+01
      5   0.399288D+01 -0.775846D+01  0.612869D+01 -0.160288D+01 -0.126624D+02
      6   0.524246D+01  0.287172D+01  0.192630D+02  0.641629D+01  0.242100D+01
                31            32            33            34            35 
      1  -0.338337D+02 -0.268421D+02 -0.879121D+01  0.284431D+02 -0.394674D+01
      2   0.290839D+02  0.246948D+02  0.537520D+01 -0.168564D+02  0.445131D+01
      3   0.474980D+01  0.214727D+01  0.341600D+01 -0.115868D+02 -0.504573D+00
      4  -0.100656D+02 -0.936044D+01 -0.250535D+01 -0.143476D+01 -0.297299D+00
      5  -0.672585D+00 -0.935470D+00 -0.345926D+01  0.743212D+00  0.164321D+01
      6   0.304468D+01  0.742306D+01  0.481311D+01 -0.359868D+00 -0.120306D+01
                36            37            38            39            40 
      1  -0.402675D+01  0.160834D+03  0.109110D+02  0.995563D+01  0.368068D+02
      2  -0.234512D+01 -0.115369D+03 -0.678684D+01 -0.688967D+01 -0.195795D+02
      3   0.637188D+01 -0.454652D+02 -0.412420D+01 -0.306596D+01 -0.172273D+02
      4   0.218078D+01 -0.388511D+01  0.183117D+02  0.721215D+00  0.308110D+02
      5  -0.147314D+01  0.964717D+01  0.217430D+01  0.223558D+02  0.459621D+01
      6   0.531517D+01 -0.198689D+02 -0.562992D+01 -0.354872D+01 -0.115629D+02
                41            42            43            44            45 
      1   0.198054D+01 -0.359219D+01 -0.374324D+02 -0.107013D+02  0.136440D+02
      2   0.454192D+01 -0.267192D+01  0.235586D+02  0.435900D+01 -0.177133D+01
      3  -0.652246D+01  0.626411D+01  0.138739D+02  0.634232D+01 -0.118727D+02
      4   0.700483D+01 -0.286530D+01  0.902606D+00 -0.408342D+01 -0.715612D+01
      5  -0.250848D+01 -0.442457D+01  0.289517D+02 -0.506425D+01  0.762026D+01
      6  -0.977584D+00  0.418788D+01 -0.212369D+01  0.428019D+01  0.647997D+01
                46            47            48            49            50 
      1  -0.630386D+02 -0.685104D+01  0.152792D+02  0.298092D+01 -0.325600D+01
      2   0.469245D+02 -0.182194D+01 -0.512953D+01 -0.786767D+01  0.633575D+01
      3   0.161141D+02  0.867298D+01 -0.101497D+02  0.488675D+01 -0.307975D+01
      4  -0.977566D+01 -0.198978D+02  0.737445D+01  0.169430D+01  0.233025D+01
      5   0.547046D+01  0.446511D+01 -0.220954D+02  0.303350D+02 -0.516197D+01
      6   0.139966D+02  0.192794D+01 -0.103919D+01 -0.303172D+01  0.482165D+01
                51            52            53            54            55 
      1   0.124351D+02 -0.471344D+02  0.793521D+01 -0.215632D+02  0.298154D+02
      2  -0.129548D+02  0.474692D+02 -0.590704D+00  0.236480D+02 -0.177761D+02
      3   0.519721D+00 -0.334798D+00 -0.734451D+01 -0.208479D+01 -0.120394D+02
      4  -0.681029D+01  0.308258D+02 -0.603199D+01  0.101140D+02 -0.748268D+01
      5   0.750962D+01 -0.669770D+02  0.512270D+01 -0.450792D+02  0.195289D+02
      6   0.363736D+01  0.148479D+02 -0.691265D+01  0.821038D+01 -0.242889D+01
                56            57            58            59            60 
      1  -0.340794D+01  0.970759D+01 -0.279535D+02  0.286500D+00 -0.492146D+01
      2   0.320488D+01 -0.686939D+01  0.178216D+02  0.864408D+00  0.454467D+01
      3   0.203056D+00 -0.283820D+01  0.101319D+02 -0.115091D+01  0.376797D+00
      4   0.139833D+02 -0.601708D+01  0.244588D+02 -0.161365D+02  0.216573D+02
      5  -0.506008D+01  0.231049D+02 -0.219063D+02  0.209262D+02 -0.118923D+02
      6   0.185544D+01 -0.142287D+01  0.120905D+02 -0.909318D+01  0.136939D+02
                61            62            63            64            65 
      1   0.786826D+02  0.205215D+01  0.664317D+01 -0.113462D+01  0.393013D+02
      2  -0.623507D+02 -0.194643D+01 -0.347390D+02 -0.230854D+02 -0.271005D+02
      3  -0.163319D+02 -0.105715D+00  0.280958D+02  0.242201D+02 -0.122007D+02
      4  -0.168779D+02  0.164701D+02 -0.150665D+02  0.414792D+02 -0.213512D+02
      5   0.751831D+02 -0.922075D+01  0.773581D+02  0.803124D+01 -0.317354D+01
      6  -0.134745D+02  0.154254D+02 -0.103279D+02 -0.849834D+01  0.725311D+01
                66            67            68            69            70 
      1   0.104282D+02  0.333889D+02  0.510194D+01  0.124820D-02  0.887987D+01
      2  -0.122799D+00 -0.205642D+02 -0.543921D+01 -0.754479D+01  0.797115D+01
      3  -0.103054D+02 -0.128247D+02  0.337275D+00  0.754354D+01 -0.168510D+02
      4  -0.132745D+02 -0.162589D+02 -0.570361D+01  0.157750D+02 -0.208329D+02
      5  -0.500568D+01 -0.443523D+01  0.154616D+02 -0.708528D+01 -0.685934D+01
      6   0.424658D+01  0.859339D+01 -0.139597D+02  0.519320D+01  0.609145D+01
                71            72            73            74            75 
      1  -0.268965D+01 -0.412262D+01 -0.135532D+02 -0.126624D+02  0.320231D+01
      2  -0.100867D+02  0.176507D+02  0.903465D+01  0.955078D+01  0.552397D+01
      3   0.127763D+02 -0.135281D+02  0.451858D+01  0.311163D+01 -0.872628D+01
      4   0.203369D+02  0.466636D+01 -0.108644D+02  0.125404D+02  0.119499D+02
      5  -0.176380D+00 -0.357425D+02  0.114707D+02  0.115330D+02 -0.271730D+02
      6   0.593204D+01  0.198790D+02  0.348013D+01  0.892181D+01 -0.272497D+01
                76            77            78            79            80 
      1  -0.128521D+02  0.340680D+02  0.195849D+02  0.124682D+02  0.204496D+02
      2   0.101716D+02 -0.166156D+02 -0.103688D+02  0.246930D+01 -0.126428D+02
      3   0.268048D+01 -0.174524D+02 -0.921612D+01 -0.149375D+02 -0.780683D+01
      4   0.249904D+02  0.205764D+02  0.944650D+01  0.225296D+02  0.134249D+02
      5   0.196620D+02  0.708790D+01  0.282721D+01 -0.420307D+02 -0.847794D+00
      6   0.660430D+01  0.129460D+01 -0.104038D+00 -0.600539D+01  0.243988D+01
                81            82            83            84            85 
      1  -0.348461D+02 -0.479035D+02  0.514137D+01  0.520030D+01  0.127451D+02
      2   0.259722D+02  0.505465D+02  0.697969D+01 -0.614950D+01  0.290919D+01
      3   0.887385D+01 -0.264296D+01 -0.121211D+02  0.949203D+00 -0.156542D+02
      4  -0.558621D+01  0.255971D+02  0.193697D+02 -0.868384D+00  0.269282D+02
      5  -0.166869D+02  0.634551D+01  0.580726D+00  0.148804D+01 -0.102271D+01
      6   0.256717D+01  0.126529D+02 -0.222289D+01  0.288225D+01 -0.161604D+01
                86            87            88            89            90 
      1   0.903322D+01 -0.529469D+00  0.249468D+02  0.548983D+01  0.256233D+02
      2  -0.259940D+01  0.123006D+01 -0.245172D+02 -0.496937D+01 -0.280025D+02
      3  -0.643381D+01 -0.700591D+00 -0.429621D+00 -0.520460D+00  0.237919D+01
      4  -0.229569D+01 -0.815167D+01 -0.718631D+01 -0.143020D+02 -0.132581D+02
      5  -0.360971D+01 -0.111051D+02  0.260062D+01 -0.167328D+02  0.219286D+01
      6  -0.116659D+02 -0.209783D+02 -0.307528D+01 -0.328172D+02 -0.557726D+01
                91            92            93            94            95 
      1  -0.176780D+02  0.100116D+02 -0.442010D+02  0.223542D+02  0.128896D+02
      2   0.749845D+01 -0.248823D+01  0.212253D+02 -0.183241D+02 -0.122767D+02
      3   0.101796D+02 -0.752339D+01  0.229757D+02 -0.403007D+01 -0.612875D+00
      4   0.170112D+02  0.161165D+02 -0.126691D+02 -0.539478D+01 -0.330343D+02
      5  -0.511178D+02 -0.117687D+02  0.577790D+00 -0.143444D+02  0.262747D+02
      6  -0.732780D+01 -0.498947D+01  0.279468D+01  0.353357D+01  0.105904D+02
                96            97            98            99           100 
      1  -0.107619D+02 -0.617706D+02 -0.972609D+01 -0.202018D+02  0.363825D+02
      2   0.174160D+02  0.287933D+02  0.126308D+02  0.162421D+02 -0.241003D+02
      3  -0.665411D+01  0.329773D+02 -0.290470D+01  0.395974D+01 -0.122823D+02
      4   0.285857D+02 -0.136447D+02  0.214326D+02  0.125573D+02  0.642849D+01
      5   0.199557D+02 -0.254321D+02  0.126124D+02  0.322502D+02  0.250942D+02
      6  -0.846648D+01  0.423505D+01 -0.451327D+01 -0.651598D+01  0.180672D+01
               101           102           103           104           105 
      1   0.203050D+01  0.166443D+02 -0.565554D+01  0.741084D+00 -0.536425D+01
      2  -0.545841D+00 -0.128648D+02  0.427032D+01 -0.135621D+01  0.424528D+01
      3  -0.148466D+01 -0.377949D+01  0.138523D+01  0.615124D+00  0.111897D+01
      4   0.514671D+01  0.105541D+01  0.651268D+01 -0.280182D+01  0.523135D+01
      5  -0.854473D+00  0.236647D+02 -0.649011D+01  0.603233D+01 -0.531633D+01
      6   0.111753D+01  0.256145D+01  0.252291D+01 -0.191962D+00  0.420187D+01
               106           107           108           109           110 
      1   0.283609D+02 -0.211233D+01  0.200592D+02  0.612148D+02  0.139410D+02
      2  -0.238630D+02  0.268830D+01 -0.239459D+02 -0.309584D+02 -0.512900D+01
      3  -0.449790D+01 -0.575969D+00  0.388668D+01 -0.302564D+02 -0.881199D+01
      4   0.284248D+01  0.906443D+01  0.425558D+01  0.265642D+02  0.133100D+02
      5   0.384073D+02  0.109679D+01  0.418151D+02 -0.229214D+02 -0.680476D+01
      6   0.411727D+01  0.410652D+01  0.529528D+01 -0.670825D+01 -0.313115D+01
               111           112           113           114           115 
      1  -0.177953D+02  0.120277D+02  0.403162D+01 -0.503896D+01 -0.371367D+02
      2   0.875352D+01 -0.338112D+01  0.240646D+01  0.155473D+01  0.196958D+02
      3   0.904173D+01 -0.864655D+01 -0.643808D+01  0.348424D+01  0.174409D+02
      4  -0.942293D+01  0.162276D+02  0.105562D+02 -0.805871D+01 -0.189260D+02
      5   0.194260D+02 -0.700097D+01 -0.703427D+01  0.428038D+01  0.311997D+02
      6   0.424988D+01 -0.426363D+01 -0.265701D+01  0.386138D+01  0.815345D+01
               116           117           118           119           120 
      1  -0.936438D+01  0.199646D+02  0.104188D+01 -0.163825D+00  0.231924D+01
      2   0.331771D+01 -0.144129D+02 -0.387003D+01  0.640142D-01  0.460764D+00
      3   0.604667D+01 -0.555168D+01  0.282815D+01  0.998111D-01 -0.278000D+01
      4  -0.144976D+02  0.106830D+02 -0.133987D+01  0.256108D+01  0.542175D+00
      5   0.761879D+01 -0.219656D+02  0.863542D+00 -0.214014D+00  0.631945D+01
      6   0.466166D+01 -0.668257D+01 -0.252038D+00 -0.519336D-01 -0.164521D+00
               121           122           123           124           125 
      1   0.145078D+01 -0.582224D+01  0.461363D+01  0.169982D+00  0.194000D+01
      2   0.922244D-01  0.136285D+01  0.246309D+00 -0.287272D+00  0.246086D+01
      3  -0.154300D+01  0.445939D+01 -0.485994D+01  0.117291D+00 -0.440086D+01
      4   0.214739D+01 -0.103767D+01  0.102001D+01  0.173913D+00  0.398208D+01
      5  -0.435134D+00  0.823556D+00 -0.335581D+01  0.549211D+01 -0.181756D+01
      6  -0.578554D+00 -0.253298D+01  0.647494D+01 -0.255181D+00  0.448522D+01
               126           127           128           129           130 
      1  -0.218556D+02  0.406832D+00  0.639852D+01 -0.373840D+01  0.413881D+01
      2  -0.122180D+02 -0.272016D+00 -0.828734D+01  0.366149D+01 -0.408651D+01
      3   0.340737D+02 -0.134815D+00  0.188882D+01  0.769020D-01 -0.523060D-01
      4  -0.296362D+01 -0.136004D+01  0.135721D+01 -0.213247D+01  0.346082D+01
      5   0.114749D+02 -0.879235D+00 -0.927849D-02  0.324205D+00  0.914695D-01
      6  -0.164244D+00 -0.456413D+01  0.255644D+01 -0.304010D+01  0.763281D+00
               131           132           133           134           135 
      1  -0.195200D+02  0.779072D+01 -0.704593D+01  0.151591D+02 -0.158481D+02
      2   0.270462D+02 -0.107337D+02  0.455546D+01 -0.202860D+02  0.149419D+02
      3  -0.752623D+01  0.294302D+01  0.249047D+01  0.512683D+01  0.906161D+00
      4   0.992467D+01 -0.392141D+01 -0.478063D+01 -0.861132D+01  0.623391D+01
      5  -0.550877D+01  0.601795D+01  0.576609D+00  0.878612D+01 -0.107794D+02
      6  -0.952020D+01  0.123518D+02 -0.184651D+00  0.168479D+02 -0.156873D+02
               136           137           138           139           140 
      1   0.694198D+01  0.602383D+01  0.333432D+01  0.321811D+01 -0.285919D+02
      2  -0.534111D+01 -0.433781D+01 -0.133446D+01 -0.590635D+00  0.357126D+02
      3  -0.160087D+01 -0.168602D+01 -0.199986D+01 -0.262747D+01 -0.712069D+01
      4   0.442153D+01  0.644931D+01  0.451581D+01  0.954335D+01  0.232879D+02
      5   0.215273D+01  0.353823D+01  0.439693D+01  0.402388D+01  0.119219D+02
      6   0.350769D+01 -0.478525D+00 -0.885338D+00  0.421028D+01  0.280096D+02
               141           142           143           144           145 
      1  -0.138033D+02 -0.313006D+01 -0.248163D+02 -0.226969D+02 -0.187829D+01
      2   0.139955D+02  0.510007D+01  0.228185D+02  0.138338D+02 -0.111856D+01
      3  -0.192202D+00 -0.197002D+01  0.199778D+01  0.886312D+01  0.299685D+01
      4   0.117372D+02  0.107835D+02  0.198575D+02  0.146295D+02  0.583432D+00
      5   0.951625D+01  0.772866D+01  0.160214D+02  0.144921D+02 -0.299942D+01
      6   0.214036D+02  0.659701D+01  0.321343D+02  0.275920D+02 -0.666661D+00
               146           147           148           149           150 
      1   0.116567D+01 -0.603547D+01  0.275776D+01 -0.948033D+01  0.100560D+02
      2   0.123418D+01  0.864821D+00 -0.959970D+00 -0.131524D+01  0.723269D+01
      3  -0.239985D+01  0.517065D+01 -0.179779D+01  0.107956D+02 -0.172887D+02
      4   0.395017D+00  0.125383D+01  0.193436D+00  0.158089D+02 -0.960826D+01
      5  -0.130843D+00  0.354657D+01 -0.262142D+01 -0.773062D+01  0.117979D+02
      6   0.273982D+01 -0.158912D+01  0.143308D+01 -0.160416D+02  0.110500D+02
               151           152           153           154           155 
      1  -0.330731D+01  0.707715D+01 -0.103848D+02  0.277905D+02 -0.733496D+01
      2   0.117454D+01  0.456562D+01 -0.751933D+01 -0.204195D+02  0.409782D+01
      3   0.213276D+01 -0.116428D+02  0.179041D+02 -0.737102D+01  0.323714D+01
      4   0.109508D+01 -0.705572D+01  0.659207D+01 -0.222118D+02  0.148459D+02
      5   0.490424D+01  0.511223D+01 -0.816526D+01 -0.394095D+02  0.146296D+02
      6  -0.155489D+01  0.112053D+02 -0.880316D+01  0.128120D+02 -0.899868D+01
               156           157           158           159           160 
      1  -0.938039D+01 -0.725224D+01  0.700405D+00  0.364751D-01 -0.652018D+01
      2   0.149688D+02  0.421044D+01 -0.290034D+00 -0.225133D+01  0.114251D+02
      3  -0.558841D+01  0.304180D+01 -0.410371D+00  0.221485D+01 -0.490491D+01
      4   0.125708D+02  0.137365D+02 -0.112891D+02 -0.104358D+02  0.826722D+01
      5   0.313351D+02  0.139436D+02 -0.114737D+02 -0.115078D+02  0.218834D+02
      6  -0.101179D+02 -0.802434D+01  0.844819D+01  0.101320D+02 -0.725631D+01
               161           162           163           164           165 
      1   0.758066D-01  0.214735D+01 -0.112975D+02 -0.140452D+02 -0.138026D+02
      2  -0.188623D+01 -0.108445D+02  0.564727D+01  0.957604D+01  0.231829D+01
      3   0.181043D+01  0.869712D+01  0.565021D+01  0.446912D+01  0.114843D+02
      4  -0.590287D+01 -0.843577D+01  0.142401D+01 -0.676122D+00  0.531905D+00
      5  -0.841542D+01 -0.211494D+02  0.626396D+01  0.458164D+01  0.162612D+01
      6   0.726354D+01  0.824826D+01  0.888258D+01  0.109572D+02  0.769191D+01
               166           167           168           169           170 
      1  -0.113418D+02 -0.171810D+02 -0.947979D+01 -0.672025D+01 -0.508890D+01
      2   0.808571D+01  0.126005D+02  0.298474D+01  0.113774D+01  0.773719D+00
      3   0.325607D+01  0.458044D+01  0.649505D+01  0.558251D+01  0.431519D+01
      4   0.145420D+01 -0.269329D+01 -0.373728D+01  0.109815D+01 -0.179290D+01
      5   0.651546D+01  0.203666D+00 -0.170810D+01  0.463662D+01  0.473464D+00
      6   0.669299D+01  0.131054D+02  0.113452D+02  0.402496D+01  0.780291D+01
               171           172           173           174           175 
      1  -0.771037D+01 -0.143533D+02 -0.261812D+02 -0.976504D+00 -0.160584D+02
      2  -0.222659D+00  0.163888D+02  0.300881D+02  0.944496D+00  0.157206D+02
      3   0.793303D+01 -0.203546D+01 -0.390690D+01  0.320085D-01  0.337851D+00
      4  -0.380509D+00  0.399686D+01 -0.366304D+00  0.238611D+01  0.615037D+01
      5   0.598247D+00 -0.432763D+01 -0.168452D+01 -0.180909D+01 -0.264899D+01
      6   0.560111D+01  0.210804D+00 -0.373260D+01  0.538764D+01 -0.136406D+01
               176           177           178           179           180 
      1  -0.283317D+02 -0.831477D+00 -0.350956D+01 -0.290763D+01 -0.480319D+01
      2   0.388692D+02  0.217915D+01  0.144710D+01  0.613807D+01  0.301803D+01
      3  -0.105375D+02 -0.134767D+01  0.206247D+01 -0.323045D+01  0.178516D+01
      4  -0.846209D+01 -0.529475D+00  0.292064D+01 -0.398082D+01 -0.695451D+00
      5  -0.315632D+01 -0.200949D+01  0.706680D+00 -0.184170D+01  0.203853D+01
      6  -0.299831D+01  0.524823D+01  0.211845D+01  0.550810D+01 -0.781707D+00
               181           182           183           184           185 
      1   0.448095D+02 -0.187026D+02 -0.771836D+01 -0.154965D+02  0.474556D+01
      2  -0.724889D+01 -0.362176D+01  0.120112D+01 -0.219752D+01  0.124160D+02
      3  -0.375606D+02  0.223243D+02  0.651724D+01  0.176940D+02 -0.171615D+02
      4  -0.540375D+02  0.373690D+02  0.764153D+01  0.296195D+02 -0.269294D+02
      5  -0.337976D+01  0.100799D+01  0.997845D+01  0.164319D+01 -0.273589D+01
      6   0.354135D+01 -0.168398D+01 -0.721842D+01 -0.159899D+01  0.224364D+01
               186           187           188           189           190 
      1   0.123623D+01 -0.120381D+02  0.317934D+01  0.536954D+01  0.378548D+01
      2   0.255909D+01 -0.264001D+00  0.565300D+01 -0.242146D+01 -0.207926D+01
      3  -0.379532D+01  0.123021D+02 -0.883233D+01 -0.294808D+01 -0.170622D+01
      4  -0.596140D+01  0.185690D+02 -0.162804D+02 -0.962112D+01 -0.709975D+01
      5  -0.312187D+01  0.987470D+01 -0.596891D+01 -0.422797D+01  0.703005D+01
      6   0.392067D+01 -0.764238D+01  0.488524D+01  0.318081D+01 -0.285759D+01
               191           192           193           194           195 
      1  -0.443630D+01  0.420909D+01 -0.912935D-01 -0.224957D+01  0.241182D+01
      2   0.245066D+01 -0.449272D+01 -0.597515D+00  0.340631D+00 -0.426448D+01
      3   0.198564D+01  0.283632D+00  0.688808D+00  0.190894D+01  0.185266D+01
      4   0.493313D+01 -0.267802D+01  0.270184D+01  0.887439D+00  0.287251D+01
      5  -0.127336D+01  0.105328D+02  0.154349D+01  0.294853D+01  0.307055D+01
      6   0.450668D+00 -0.370721D+01  0.227704D+00 -0.125098D+01  0.454321D+01
               196           197           198           199           200 
      1   0.388500D+01  0.469077D+01 -0.971469D+01 -0.998615D+00 -0.103940D+01
      2  -0.633820D+01 -0.470970D+01 -0.168217D+02  0.164243D+01  0.808659D+00
      3   0.245320D+01  0.189297D-01  0.265363D+02 -0.643814D+00  0.230737D+00
      4  -0.604714D+01  0.825546D+01 -0.914267D+01 -0.853834D-01  0.141137D+01
      5   0.158455D+02 -0.665837D+01  0.433024D+02  0.573867D+00 -0.421581D+00
      6  -0.763144D+01  0.977500D+01 -0.297290D+02 -0.622190D+00  0.155363D+00
               201           202           203           204           205 
      1   0.107189D+01 -0.227469D+01 -0.176808D+01  0.542283D+01  0.653004D+01
      2  -0.758441D+00 -0.233293D+01  0.107095D+01 -0.289943D+01 -0.339232D+01
      3  -0.313451D+00  0.460762D+01  0.697135D+00 -0.252340D+01 -0.313772D+01
      4  -0.679211D+00  0.596900D+00 -0.159106D+01  0.225697D+01 -0.299251D+00
      5   0.202498D+01 -0.448570D+00  0.133471D+01 -0.665812D+00  0.112469D+01
      6   0.194055D+00  0.897264D+00 -0.375879D+01  0.360536D+01  0.804849D+00
               206           207           208           209           210 
      1   0.665551D+01 -0.131096D+02  0.262064D+01  0.254204D+01 -0.592372D+01
      2  -0.446862D+01  0.158706D+01 -0.323216D+01 -0.137174D+01  0.216120D+01
      3  -0.218689D+01  0.115226D+02  0.611523D+00 -0.117029D+01  0.376251D+01
      4   0.196350D+01 -0.305015D+01  0.279614D+01  0.153025D+01 -0.169965D+01
      5  -0.188001D+01  0.453351D+01 -0.518839D+01 -0.182372D+01  0.448207D+01
      6   0.498883D+01 -0.740380D+01 -0.180462D+01  0.226321D+00  0.460913D+00
               211           212           213           214           215 
      1   0.234290D+01 -0.424568D+01  0.455893D+01 -0.132845D+01  0.515757D+01
      2  -0.445591D+01  0.572988D+00  0.157430D+01  0.291551D+01  0.167811D+00
      3   0.211301D+01  0.367270D+01 -0.613323D+01 -0.158707D+01 -0.532538D+01
      4  -0.233203D+01  0.140854D+01 -0.254025D+01 -0.331049D+01 -0.321409D+01
      5  -0.491506D+01 -0.358513D+01  0.678372D+01  0.659720D+01  0.561896D+01
      6   0.135441D+01 -0.298342D+01  0.427088D+01  0.245610D+01  0.601313D+01
               216           217           218           219           220 
      1  -0.197351D+02  0.180592D+02 -0.593652D+01 -0.671212D+01 -0.195015D+02
      2  -0.700483D+01 -0.125131D+02  0.378188D+01  0.527258D+01  0.132603D+02
      3   0.267399D+02 -0.554612D+01  0.215464D+01  0.143954D+01  0.624119D+01
      4   0.426402D+01 -0.652033D+01  0.379808D+01  0.514494D+01  0.139352D+02
      5  -0.202967D+02 -0.857585D+01  0.583535D+01  0.114364D+02  0.176949D+02
      6  -0.657481D+01  0.253642D+01 -0.389400D+00 -0.686454D+00 -0.491585D+01
               221           222           223           224           225 
      1   0.203574D+01  0.605318D+01 -0.254823D+02 -0.665196D+00  0.107237D+02
      2  -0.192284D+01 -0.104124D+02  0.199553D+02 -0.503656D+01 -0.237790D+02
      3  -0.112903D+00  0.435917D+01  0.552703D+01  0.570176D+01  0.130553D+02
      4  -0.128666D+02 -0.201529D+02  0.424578D+01 -0.193342D+02 -0.166323D+02
      5  -0.187995D+02 -0.269389D+02  0.365589D+02 -0.150215D+02 -0.594440D+02
      6   0.557493D+01  0.894694D+01 -0.291301D+01  0.691813D+01  0.659698D+01
               226           227           228           229           230 
      1   0.101139D+03  0.169485D+01  0.236656D+02 -0.686530D+01  0.915327D+01
      2  -0.483365D+02  0.264122D+00 -0.100385D+02  0.446532D+01 -0.279266D+01
      3  -0.528026D+02 -0.195898D+01 -0.136271D+02  0.239998D+01 -0.636061D+01
      4   0.645249D+01  0.128796D+02  0.257086D+01  0.145078D+02  0.301003D+01
      5   0.192181D+02  0.162740D+01  0.172021D+02  0.438473D+00  0.150128D+01
      6   0.304994D+01 -0.192054D+00  0.188890D+01  0.200283D+00 -0.649183D+00
               231           232           233           234           235 
      1   0.287440D+00  0.517248D+02  0.265226D+01  0.202091D+02  0.488138D+01
      2  -0.873479D+00 -0.245463D+02 -0.121799D+01 -0.114455D+02 -0.141697D+01
      3   0.586039D+00 -0.271785D+02 -0.143427D+01 -0.876365D+01 -0.346441D+01
      4   0.190017D+01  0.514107D+01  0.705048D+01  0.424872D+00  0.274452D+01
      5  -0.261902D+01  0.237960D+02 -0.858645D-01  0.158363D+02  0.268613D+01
      6   0.232178D+01  0.270970D+01  0.176364D+01  0.248287D+01 -0.190294D+01
               236           237           238           239           240 
      1   0.825774D+01  0.357405D+00  0.225344D+02 -0.883021D+01  0.267078D+01
      2  -0.594343D+01  0.114907D+00 -0.605866D+01  0.229860D+02 -0.494213D+01
      3  -0.231430D+01 -0.472312D+00 -0.164757D+02 -0.141558D+02  0.227135D+01
      4  -0.921023D+00  0.181965D+01  0.238601D+02  0.629663D+02 -0.220734D+02
      5   0.111713D+01 -0.114583D+00 -0.997447D+01 -0.204466D+02  0.150461D+02
      6   0.147796D+01 -0.167886D+01 -0.538882D+01 -0.176688D+02  0.115127D+02
               241           242           243 
      1  -0.736218D+01  0.348382D+01  0.191971D+01
      2   0.425136D+01 -0.295548D+01 -0.177282D+01
      3   0.311081D+01 -0.528340D+00 -0.146890D+00
      4  -0.413823D+01 -0.164506D+02  0.113695D+02
      5   0.144275D+02  0.116908D+02 -0.178243D+02
      6   0.229967D+01  0.999460D+01 -0.621823D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:37:31 2021, MaxMem=  5368709120 cpu:           19780.3 elap:            2478.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.12993 -10.27102 -10.20374 -10.20180 -10.19436
 Alpha  occ. eigenvalues --  -10.18980 -10.18755 -10.18703 -10.18184 -10.17734
 Alpha  occ. eigenvalues --  -10.17719  -1.04175  -0.87379  -0.80128  -0.75564
 Alpha  occ. eigenvalues --   -0.74625  -0.69661  -0.68141  -0.61888  -0.59898
 Alpha  occ. eigenvalues --   -0.54233  -0.52243  -0.48939  -0.47873  -0.46260
 Alpha  occ. eigenvalues --   -0.45026  -0.44330  -0.44032  -0.42290  -0.40967
 Alpha  occ. eigenvalues --   -0.39639  -0.39572  -0.38587  -0.36844  -0.36656
 Alpha  occ. eigenvalues --   -0.36168  -0.35169  -0.32455  -0.31379  -0.30599
 Alpha  occ. eigenvalues --   -0.26488  -0.25092
 Alpha virt. eigenvalues --   -0.06213  -0.01392  -0.00475   0.00247   0.00355
 Alpha virt. eigenvalues --    0.01573   0.01729   0.02496   0.02678   0.02943
 Alpha virt. eigenvalues --    0.03596   0.04080   0.04211   0.05295   0.05605
 Alpha virt. eigenvalues --    0.05939   0.06329   0.06722   0.06883   0.07245
 Alpha virt. eigenvalues --    0.07624   0.08139   0.08941   0.09117   0.09315
 Alpha virt. eigenvalues --    0.10083   0.10157   0.10425   0.10635   0.11122
 Alpha virt. eigenvalues --    0.11180   0.11478   0.11936   0.12188   0.12335
 Alpha virt. eigenvalues --    0.12610   0.12900   0.13279   0.13607   0.13899
 Alpha virt. eigenvalues --    0.14132   0.14610   0.15098   0.15392   0.15821
 Alpha virt. eigenvalues --    0.15940   0.16233   0.16529   0.16997   0.17228
 Alpha virt. eigenvalues --    0.18025   0.19106   0.19220   0.19592   0.20260
 Alpha virt. eigenvalues --    0.20445   0.21530   0.21697   0.21956   0.22627
 Alpha virt. eigenvalues --    0.23168   0.23544   0.24153   0.24732   0.25108
 Alpha virt. eigenvalues --    0.25487   0.25743   0.26050   0.26435   0.27098
 Alpha virt. eigenvalues --    0.27762   0.28017   0.28616   0.28692   0.29304
 Alpha virt. eigenvalues --    0.30504   0.30814   0.31060   0.31323   0.32201
 Alpha virt. eigenvalues --    0.32738   0.32928   0.33659   0.34167   0.34627
 Alpha virt. eigenvalues --    0.35413   0.35821   0.36227   0.36569   0.36750
 Alpha virt. eigenvalues --    0.37239   0.37593   0.37675   0.38518   0.38595
 Alpha virt. eigenvalues --    0.38868   0.39175   0.39590   0.40348   0.41246
 Alpha virt. eigenvalues --    0.41437   0.42105   0.42451   0.43287   0.43783
 Alpha virt. eigenvalues --    0.44844   0.45341   0.45405   0.46094   0.46550
 Alpha virt. eigenvalues --    0.46945   0.47916   0.48555   0.49171   0.49598
 Alpha virt. eigenvalues --    0.49799   0.50157   0.50554   0.51412   0.51888
 Alpha virt. eigenvalues --    0.52262   0.53018   0.53338   0.53445   0.53917
 Alpha virt. eigenvalues --    0.54397   0.55340   0.56109   0.56473   0.56646
 Alpha virt. eigenvalues --    0.57178   0.57214   0.58254   0.58577   0.59038
 Alpha virt. eigenvalues --    0.59706   0.60141   0.60929   0.61237   0.61757
 Alpha virt. eigenvalues --    0.62669   0.63073   0.63988   0.64574   0.64888
 Alpha virt. eigenvalues --    0.65220   0.65463   0.65928   0.66883   0.67481
 Alpha virt. eigenvalues --    0.67783   0.68119   0.69146   0.69293   0.70015
 Alpha virt. eigenvalues --    0.70363   0.70983   0.71474   0.71881   0.72100
 Alpha virt. eigenvalues --    0.72714   0.73470   0.73979   0.75230   0.75901
 Alpha virt. eigenvalues --    0.76974   0.77303   0.77983   0.79106   0.79376
 Alpha virt. eigenvalues --    0.79728   0.80825   0.80971   0.81509   0.82106
 Alpha virt. eigenvalues --    0.84002   0.84257   0.85514   0.86724   0.87529
 Alpha virt. eigenvalues --    0.88220   0.88907   0.90265   0.91615   0.91987
 Alpha virt. eigenvalues --    0.92593   0.93361   0.94705   0.95225   0.96489
 Alpha virt. eigenvalues --    0.97255   0.98769   0.99099   1.00905   1.01758
 Alpha virt. eigenvalues --    1.03053   1.03869   1.04501   1.05828   1.07065
 Alpha virt. eigenvalues --    1.07902   1.08674   1.09579   1.11235   1.12361
 Alpha virt. eigenvalues --    1.13204   1.15319   1.16177   1.17790   1.18841
 Alpha virt. eigenvalues --    1.20613   1.21788   1.23719   1.23997   1.26133
 Alpha virt. eigenvalues --    1.27118   1.28797   1.29759   1.31444   1.32005
 Alpha virt. eigenvalues --    1.34539   1.35805   1.37241   1.37680   1.40714
 Alpha virt. eigenvalues --    1.42774   1.43644   1.46445   1.47217   1.48517
 Alpha virt. eigenvalues --    1.49568   1.49769   1.51159   1.51265   1.53416
 Alpha virt. eigenvalues --    1.54616   1.55072   1.56020   1.57022   1.58139
 Alpha virt. eigenvalues --    1.58577   1.58805   1.59777   1.62062   1.62999
 Alpha virt. eigenvalues --    1.63358   1.63891   1.65074   1.66236   1.66815
 Alpha virt. eigenvalues --    1.68764   1.69633   1.70954   1.71787   1.73277
 Alpha virt. eigenvalues --    1.73784   1.75505   1.76394   1.77456   1.78412
 Alpha virt. eigenvalues --    1.79151   1.79630   1.81068   1.82467   1.83424
 Alpha virt. eigenvalues --    1.84116   1.86628   1.87465   1.88680   1.89486
 Alpha virt. eigenvalues --    1.89821   1.93102   1.94067   1.94813   1.97508
 Alpha virt. eigenvalues --    1.98885   1.99636   1.99804   2.00531   2.01077
 Alpha virt. eigenvalues --    2.02822   2.03716   2.04518   2.05460   2.05935
 Alpha virt. eigenvalues --    2.07712   2.08917   2.10447   2.11678   2.12017
 Alpha virt. eigenvalues --    2.13803   2.14621   2.15191   2.15681   2.17810
 Alpha virt. eigenvalues --    2.18949   2.20521   2.22197   2.23615   2.23942
 Alpha virt. eigenvalues --    2.24567   2.26047   2.28245   2.28628   2.32341
 Alpha virt. eigenvalues --    2.32572   2.33058   2.35167   2.35942   2.38167
 Alpha virt. eigenvalues --    2.39916   2.41124   2.42653   2.43295   2.45416
 Alpha virt. eigenvalues --    2.47218   2.47721   2.48987   2.51626   2.51773
 Alpha virt. eigenvalues --    2.54476   2.55927   2.56429   2.58025   2.58444
 Alpha virt. eigenvalues --    2.60264   2.61600   2.62456   2.64402   2.66244
 Alpha virt. eigenvalues --    2.67898   2.71092   2.72997   2.74699   2.79017
 Alpha virt. eigenvalues --    2.81436   2.84582   2.89467   2.91490   2.95681
 Alpha virt. eigenvalues --    2.99797   3.03260   3.04096   3.12950   3.21276
 Alpha virt. eigenvalues --    3.27681   3.41264   3.42793   3.46175   3.52123
 Alpha virt. eigenvalues --    3.58488   3.69865   3.76197   3.92208   4.91302
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.244328  -0.766876  -0.013293  -0.989803   0.356267  -0.036283
     2  C   -0.766876  10.145859  -4.289177   2.325333  -0.952984   0.098982
     3  C   -0.013293  -4.289177  25.612640 -12.430891   2.373426  -0.936343
     4  C   -0.989803   2.325333 -12.430891  23.798842  -8.037944  -0.048284
     5  C    0.356267  -0.952984   2.373426  -8.037944  15.175235  -2.176713
     6  C   -0.036283   0.098982  -0.936343  -0.048284  -2.176713   8.692091
     7  O   -0.000284   0.000235   0.060453  -0.053461   0.083835   0.113609
     8  C   -0.301374  -0.449768  -0.562118   0.297482  -0.224740   0.000530
     9  C   -0.645607  -1.208219   1.616477  -0.134076   0.086414  -0.027084
    10  C    0.151990   1.316919  -2.549828   0.727235  -0.625804  -0.005506
    11  C    0.002612  -0.009099  -0.008410  -0.470450   0.330212  -0.042976
    12  H    0.158191   0.247336  -0.352837   0.169804   0.032206   0.001101
    13  H    0.038179  -0.115765   0.444828  -0.229385   0.017409  -0.000623
    14  H    0.225236   0.634365  -3.180422   0.461312   0.311170   0.015382
    15  H    0.225146   0.092803  -0.385863  -0.239479   0.220363  -0.023205
    16  H   -0.150898  -0.105432   0.019994   0.614484  -0.133366   0.030529
    17  H   -0.193363   0.753651   0.012625  -0.082470  -0.062006  -0.016031
    18  H   -0.023995  -0.128092   0.219856  -0.059569   0.028528   0.005599
    19  H    0.340871  -0.124321  -0.575930   0.197837   0.091426   0.012150
    20  H    0.050126  -0.094251   0.030730  -0.043232   0.009591  -0.004721
    21  H    0.068027  -0.131623   0.237721  -0.031495  -0.000243   0.003392
    22  H   -0.120191   0.539426  -0.443521   0.260984  -0.067527   0.003381
    23  H    0.146634  -0.319601   0.287247  -2.260083   0.097534   0.188970
    24  H    0.012293   0.028297  -0.534420   0.979794  -2.477335   0.456740
    25  H    0.000466  -0.001792  -0.023822   0.037936  -0.121415   0.035427
    26  H    0.001373  -0.001836   0.028240  -0.076086   0.353320  -0.021962
    27  H   -0.004635   0.007969  -0.026939   0.031385  -0.115760   0.018022
               7          8          9         10         11         12
     1  C   -0.000284  -0.301374  -0.645607   0.151990   0.002612   0.158191
     2  C    0.000235  -0.449768  -1.208219   1.316919  -0.009099   0.247336
     3  C    0.060453  -0.562118   1.616477  -2.549828  -0.008410  -0.352837
     4  C   -0.053461   0.297482  -0.134076   0.727235  -0.470450   0.169804
     5  C    0.083835  -0.224740   0.086414  -0.625804   0.330212   0.032206
     6  C    0.113609   0.000530  -0.027084  -0.005506  -0.042976   0.001101
     7  O    8.587709  -0.000655   0.004737   0.000332  -0.047565   0.000320
     8  C   -0.000655   6.317516  -0.397807   0.028379  -0.012157  -0.285719
     9  C    0.004737  -0.397807   8.283807  -1.391547  -0.001529  -0.652421
    10  C    0.000332   0.028379  -1.391547   8.216524  -0.030165   0.027830
    11  C   -0.047565  -0.012157  -0.001529  -0.030165   5.089728   0.000563
    12  H    0.000320  -0.285719  -0.652421   0.027830   0.000563   3.026711
    13  H   -0.000061   0.106477  -0.806242   0.137284   0.000080  -0.749614
    14  H    0.002425  -0.212732  -0.350441   0.048031   0.030013   0.051880
    15  H    0.003277   0.026715  -0.112423  -0.497558   0.000179   0.264620
    16  H   -0.001036   0.063786   0.174487  -0.756762   0.000258  -0.264620
    17  H   -0.001654  -0.007915  -0.248474  -0.080991  -0.000398   0.001483
    18  H    0.000636  -0.018299   0.221265  -0.070758   0.000776   0.057212
    19  H   -0.002018   0.030969  -0.128643   0.131409   0.003752  -0.007588
    20  H    0.000278   0.491814  -0.130085  -0.037420  -0.002521  -0.001397
    21  H   -0.000039  -0.177684   0.232376  -0.116797  -0.000325  -0.030684
    22  H   -0.000336  -0.039092  -0.176650   0.284951  -0.001495  -0.040405
    23  H   -0.080882  -0.115935   0.089075  -0.148115   0.029266  -0.007589
    24  H   -0.083409   0.053048  -0.025481   0.084670  -0.369726  -0.000814
    25  H    0.025139   0.000800  -0.000441  -0.006142   0.378660   0.000134
    26  H   -0.020856   0.000358  -0.000411   0.000995  -0.120675  -0.000073
    27  H    0.028228  -0.005278   0.001073  -0.002509   0.391038   0.000344
              13         14         15         16         17         18
     1  C    0.038179   0.225236   0.225146  -0.150898  -0.193363  -0.023995
     2  C   -0.115765   0.634365   0.092803  -0.105432   0.753651  -0.128092
     3  C    0.444828  -3.180422  -0.385863   0.019994   0.012625   0.219856
     4  C   -0.229385   0.461312  -0.239479   0.614484  -0.082470  -0.059569
     5  C    0.017409   0.311170   0.220363  -0.133366  -0.062006   0.028528
     6  C   -0.000623   0.015382  -0.023205   0.030529  -0.016031   0.005599
     7  O   -0.000061   0.002425   0.003277  -0.001036  -0.001654   0.000636
     8  C    0.106477  -0.212732   0.026715   0.063786  -0.007915  -0.018299
     9  C   -0.806242  -0.350441  -0.112423   0.174487  -0.248474   0.221265
    10  C    0.137284   0.048031  -0.497558  -0.756762  -0.080991  -0.070758
    11  C    0.000080   0.030013   0.000179   0.000258  -0.000398   0.000776
    12  H   -0.749614   0.051880   0.264620  -0.264620   0.001483   0.057212
    13  H    2.922394   0.014148  -0.318885   0.186368  -0.018608  -0.078690
    14  H    0.014148   4.167008   0.164839  -0.227053   0.034466  -0.008287
    15  H   -0.318885   0.164839   3.036866  -0.717030  -0.017633   0.035806
    16  H    0.186368  -0.227053  -0.717030   2.907241  -0.021303  -0.010072
    17  H   -0.018608   0.034466  -0.017633  -0.021303   2.525896  -0.631813
    18  H   -0.078690  -0.008287   0.035806  -0.010072  -0.631813   2.404973
    19  H    0.028269   0.032476   0.007256   0.005605  -0.569216  -0.555050
    20  H   -0.004056  -0.022629  -0.006661   0.001996   0.031639   0.014767
    21  H    0.024151   0.059669  -0.007148   0.001481   0.015443  -0.044711
    22  H    0.020754  -0.162614   0.008087   0.023310  -0.044412   0.014249
    23  H    0.005353   0.082166  -0.135547   0.031472  -0.081641   0.007886
    24  H   -0.001509  -0.317241   0.003475   0.018026  -0.015064   0.002894
    25  H   -0.000079   0.004782  -0.000047  -0.000423   0.000162   0.000133
    26  H    0.000081  -0.001164  -0.000092   0.000389  -0.000011   0.000049
    27  H   -0.000088   0.005468   0.000143  -0.000310  -0.000006  -0.000317
              19         20         21         22         23         24
     1  C    0.340871   0.050126   0.068027  -0.120191   0.146634   0.012293
     2  C   -0.124321  -0.094251  -0.131623   0.539426  -0.319601   0.028297
     3  C   -0.575930   0.030730   0.237721  -0.443521   0.287247  -0.534420
     4  C    0.197837  -0.043232  -0.031495   0.260984  -2.260083   0.979794
     5  C    0.091426   0.009591  -0.000243  -0.067527   0.097534  -2.477335
     6  C    0.012150  -0.004721   0.003392   0.003381   0.188970   0.456740
     7  O   -0.002018   0.000278  -0.000039  -0.000336  -0.080882  -0.083409
     8  C    0.030969   0.491814  -0.177684  -0.039092  -0.115935   0.053048
     9  C   -0.128643  -0.130085   0.232376  -0.176650   0.089075  -0.025481
    10  C    0.131409  -0.037420  -0.116797   0.284951  -0.148115   0.084670
    11  C    0.003752  -0.002521  -0.000325  -0.001495   0.029266  -0.369726
    12  H   -0.007588  -0.001397  -0.030684  -0.040405  -0.007589  -0.000814
    13  H    0.028269  -0.004056   0.024151   0.020754   0.005353  -0.001509
    14  H    0.032476  -0.022629   0.059669  -0.162614   0.082166  -0.317241
    15  H    0.007256  -0.006661  -0.007148   0.008087  -0.135547   0.003475
    16  H    0.005605   0.001996   0.001481   0.023310   0.031472   0.018026
    17  H   -0.569216   0.031639   0.015443  -0.044412  -0.081641  -0.015064
    18  H   -0.555050   0.014767  -0.044711   0.014249   0.007886   0.002894
    19  H    2.272518  -0.072694   0.029932   0.026534   0.045592   0.010372
    20  H   -0.072694   1.800555  -0.372993  -0.440677  -0.009141   0.000359
    21  H    0.029932  -0.372993   2.004708  -0.521084  -0.002605  -0.002448
    22  H    0.026534  -0.440677  -0.521084   2.218244  -0.000145   0.026348
    23  H    0.045592  -0.009141  -0.002605  -0.000145   4.023875   0.218182
    24  H    0.010372   0.000359  -0.002448   0.026348   0.218182   4.313423
    25  H   -0.000586   0.000253  -0.000019   0.000088  -0.007318  -0.097275
    26  H    0.000909  -0.000317   0.000018   0.000134   0.005767   0.037109
    27  H    0.000274  -0.000863   0.000139  -0.001212  -0.006100  -0.107117
              25         26         27
     1  C    0.000466   0.001373  -0.004635
     2  C   -0.001792  -0.001836   0.007969
     3  C   -0.023822   0.028240  -0.026939
     4  C    0.037936  -0.076086   0.031385
     5  C   -0.121415   0.353320  -0.115760
     6  C    0.035427  -0.021962   0.018022
     7  O    0.025139  -0.020856   0.028228
     8  C    0.000800   0.000358  -0.005278
     9  C   -0.000441  -0.000411   0.001073
    10  C   -0.006142   0.000995  -0.002509
    11  C    0.378660  -0.120675   0.391038
    12  H    0.000134  -0.000073   0.000344
    13  H   -0.000079   0.000081  -0.000088
    14  H    0.004782  -0.001164   0.005468
    15  H   -0.000047  -0.000092   0.000143
    16  H   -0.000423   0.000389  -0.000310
    17  H    0.000162  -0.000011  -0.000006
    18  H    0.000133   0.000049  -0.000317
    19  H   -0.000586   0.000909   0.000274
    20  H    0.000253  -0.000317  -0.000863
    21  H   -0.000019   0.000018   0.000139
    22  H    0.000088   0.000134  -0.001212
    23  H   -0.007318   0.005767  -0.006100
    24  H   -0.097275   0.037109  -0.107117
    25  H    1.333522  -0.250549  -0.187888
    26  H   -0.250549   1.646464  -0.253079
    27  H   -0.187888  -0.253079   1.346137
 Mulliken charges:
               1
     1  C    1.224865
     2  C   -1.492339
     3  C    1.369578
     4  C    1.284278
     5  C    1.428901
     6  C   -0.336173
     7  O   -0.618956
     8  C    1.393398
     9  C    1.727869
    10  C    1.163352
    11  C    0.860353
    12  H   -0.645972
    13  H   -0.622169
    14  H   -0.862252
    15  H   -0.628004
    16  H   -0.691121
    17  H   -0.282355
    18  H   -0.384978
    19  H   -0.232107
    20  H   -0.188451
    21  H   -0.237161
    22  H   -0.367130
    23  H   -1.084315
    24  H   -1.213193
    25  H   -0.119707
    26  H   -0.328095
    27  H   -0.118118
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.325426
     2  C   -1.492339
     3  C    0.507325
     4  C    0.199963
     5  C    0.215709
     6  C   -0.336173
     7  O   -0.618956
     8  C    0.600656
     9  C    0.459728
    10  C   -0.155773
    11  C    0.294433
 Electronic spatial extent (au):  <R**2>=           2527.9889
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.7881    Y=              0.7999    Z=             -2.5228  Tot=              3.1940
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -70.9975   YY=            -70.0307   ZZ=            -71.5525
   XY=              3.3836   XZ=             -8.7085   YZ=              0.6048
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1372   YY=              0.8295   ZZ=             -0.6923
   XY=              3.3836   XZ=             -8.7085   YZ=              0.6048
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             10.3737  YYY=             -1.0428  ZZZ=             -4.9097  XYY=              4.3300
  XXY=             11.1489  XXZ=            -24.8246  XZZ=             -8.2229  YZZ=             -0.1892
  YYZ=              2.3615  XYZ=              2.8839
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2595.7724 YYYY=           -475.3288 ZZZZ=           -405.6471 XXXY=             21.1306
 XXXZ=            -78.1731 YYYX=              3.9444 YYYZ=             -1.0355 ZZZX=             -3.5936
 ZZZY=             -0.5530 XXYY=           -518.0863 XXZZ=           -532.5880 YYZZ=           -144.1155
 XXYZ=             14.4594 YYXZ=             -1.1560 ZZXY=              6.4846
 N-N= 6.070291071897D+02 E-N=-2.295751019099D+03  KE= 4.631328499023D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:37:31 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.91470027D-01 3.08381737D-01-9.74521973D-01
 Polarizability= 1.61954153D+02 5.39450538D+00 1.04291144D+02
                -2.77385528D+00-3.01374036D+00 1.09144327D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.3068    1.3063        3.1274    3.1278
 2     -1.3068   -1.3063        1.5261    1.5253      -34.6787  -34.6807
 3     -3.1274   -3.1278       32.5475   32.5498       -1.5256   -1.5253
 4     -1.5261   -1.5253       -0.0000    0.0000       -3.1275   -3.1278
 5      2.1311    2.1309        3.1275    3.1278        1.3058    1.3063
 6      1.5256    1.5253       -1.3058   -1.3063        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.9190   -3.9190        9.3835    9.3835
 2     -4.5759   -4.5759        0.0000    0.0000        9.3835    9.3835
 3     -4.5759   -4.5759       -3.9190   -3.9190       -0.0000    0.0000
 4     -3.9190   -3.9190        4.5759    4.5759     -104.0422 -104.0422
 5     -9.3835   -9.3835       97.6495   97.6495       -4.5759   -4.5759
 6      6.3927    6.3927        9.3835    9.3835        3.9190    3.9190
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0043    0.0000       -5.2265   -5.2253      -12.1686  -12.5113
 2      5.1174    5.2253       -6.1793   -6.1012      138.6095  138.7229
 3     12.4723   12.5113     -130.1826 -130.1993        6.1184    6.1012
 4      6.0693    6.1012       -0.0350    0.0000       12.6358   12.5113
 5     -8.4701   -8.5235      -12.5570  -12.5113       -5.0041   -5.2253
 6     -6.0574   -6.1012        5.2040    5.2253        0.0928    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0037    0.0000      -37.1268  -37.1365      -27.9401  -27.9504
 2     37.1741   37.1365       37.1122   37.1664       15.4533   15.3988
 3     27.8521   27.9504       42.1342   42.1161      -37.2820  -37.1664
 4    -37.1117  -37.1664        0.0238    0.0000       28.0814   27.9504
 5    -57.2492  -57.5149      -28.0577  -27.9504      -37.2186  -37.1365
 6     37.1413   37.1664       37.1167   37.1365       -0.1317    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -61.4748  -61.3395      -27.3112  -27.4343        1.3021    1.2862
 2    -91.9047  -91.8989      -58.6727  -58.7092        1.4724    1.2862
 3    -91.8876  -91.8989      -27.3823  -27.4343       -4.0562   -4.2444
 4     31.2957   31.2749       30.4397   30.5594       39.5011   39.0701
 5     -5.6951   -5.5306       36.3891   36.2996      -31.0207  -30.5594
 6    -75.1263  -75.3697        5.3851    5.5306      -31.5906  -31.2749
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9635   -2.8729   -0.0008   -0.0004    0.0002    4.5301
 Low frequencies ---   32.1270   63.4798   78.6601
 Diagonal vibrational polarizability:
       20.2521150      75.1209858      11.1512478
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     32.1132                63.4792                78.6590
 Red. masses --      3.3272                 3.9353                 3.1815
 Frc consts  --      0.0020                 0.0093                 0.0116
 IR Inten    --      2.7823                 1.5390                 0.9613
 RamAct Fr= 1--      2.2023                 1.1336                 0.3118
  Dep-P Fr= 1--      0.7272                 0.7149                 0.4828
  Dep-U Fr= 1--      0.8420                 0.8338                 0.6512
 Alpha2 Fr= 1--      0.0009                 0.0007                 0.0017
 Beta2  Fr= 1--      0.3091                 0.1575                 0.0338
 AlphaG Fr= 1--     -0.0046                 0.0065                 0.0110
 Gamma2 Fr= 1--     -0.1876                 0.1237                 0.4123
 Delta2 Fr= 1--     -0.0573                -0.0568                 0.1033
 Raman1 Fr= 1--       8.809                  4.534                  1.247
 ROA1   Fr= 1--     -19.842                 10.055                 42.887
 CID1   Fr= 1--      -2.252                  2.217                 34.383
 Raman2 Fr= 1--       3.709                  1.890                  0.406
 ROA2   Fr= 1--      -4.044                  3.423                  9.069
 CID2   Fr= 1--      -1.090                  1.811                 22.330
 Raman3 Fr= 1--       7.418                  3.781                  0.812
 ROA3   Fr= 1--     -19.842                 10.055                 42.887
 CID3   Fr= 1--      -2.675                  2.660                 52.798
 RC180  Fr= 1--       0.684                  0.668                  0.302
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07  -0.03     0.06  -0.12   0.02     0.23   0.04  -0.01
     2   6     0.04   0.01  -0.02     0.07  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.09  -0.01    -0.01  -0.12  -0.01    -0.02   0.01  -0.11
     4   6    -0.01  -0.11  -0.02    -0.01  -0.15  -0.02    -0.01  -0.02  -0.14
     5   6    -0.03  -0.01   0.01    -0.04  -0.04  -0.00     0.00   0.05  -0.07
     6   6    -0.03   0.00   0.01    -0.04   0.08   0.01    -0.05   0.02   0.03
     7   8     0.01  -0.17  -0.06    -0.05   0.25   0.06    -0.16   0.05   0.05
     8   6     0.11  -0.01  -0.08     0.24   0.05   0.07    -0.08  -0.03   0.01
     9   6    -0.03   0.04   0.06    -0.04   0.09  -0.06     0.01  -0.03   0.15
    10   6    -0.08  -0.03   0.07    -0.13  -0.04  -0.02    -0.01  -0.00  -0.08
    11   6    -0.08   0.27   0.09    -0.05  -0.01  -0.05     0.04  -0.06   0.12
    12   1    -0.04   0.03   0.06     0.03   0.16  -0.09    -0.17  -0.02   0.26
    13   1    -0.02   0.12   0.09    -0.12   0.15  -0.11     0.16  -0.06   0.28
    14   1    -0.02  -0.14  -0.02    -0.01  -0.12  -0.01    -0.06   0.05  -0.10
    15   1    -0.09  -0.01   0.09    -0.21  -0.04  -0.00     0.12  -0.07  -0.15
    16   1    -0.14  -0.07   0.10    -0.17  -0.05  -0.01    -0.12   0.06  -0.13
    17   1     0.04   0.09   0.01    -0.05  -0.17  -0.03     0.29   0.05  -0.01
    18   1     0.12   0.15  -0.03     0.09  -0.06   0.02     0.28   0.05   0.09
    19   1     0.13   0.04  -0.09     0.12  -0.22   0.07     0.25   0.05  -0.14
    20   1     0.16  -0.05  -0.14     0.33  -0.07   0.11    -0.07  -0.01  -0.11
    21   1     0.15   0.07  -0.08     0.30   0.15   0.09    -0.03  -0.04   0.12
    22   1     0.07  -0.06  -0.07     0.23   0.12   0.07    -0.22  -0.07   0.04
    23   1     0.01  -0.20  -0.05     0.00  -0.17  -0.03    -0.01  -0.09  -0.16
    24   1    -0.05   0.08   0.04    -0.06  -0.03   0.00     0.06   0.11  -0.05
    25   1    -0.01   0.44  -0.02    -0.01  -0.16   0.05     0.10  -0.11   0.15
    26   1    -0.07   0.26   0.08    -0.06   0.12  -0.03    -0.02  -0.07   0.20
    27   1    -0.19   0.31   0.27    -0.08  -0.07  -0.23     0.11  -0.07   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.5158               134.1099               156.7667
 Red. masses --      1.1395                 2.3320                 2.9904
 Frc consts  --      0.0090                 0.0247                 0.0433
 IR Inten    --      0.0020                 0.1368                 1.6991
 RamAct Fr= 1--      0.6502                 0.9176                 0.6187
  Dep-P Fr= 1--      0.7263                 0.7364                 0.6503
  Dep-U Fr= 1--      0.8414                 0.8482                 0.7881
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0011
 Beta2  Fr= 1--      0.0912                 0.1297                 0.0813
 AlphaG Fr= 1--     -0.0015                 0.0002                -0.0034
 Gamma2 Fr= 1--     -0.0771                 0.7644                -0.5530
 Delta2 Fr= 1--      0.0292                 0.0962                -0.1444
 Raman1 Fr= 1--       2.601                  3.670                  2.475
 ROA1   Fr= 1--      -6.465                 76.458                -57.708
 CID1   Fr= 1--      -2.486                 20.832                -23.318
 Raman2 Fr= 1--       1.094                  1.557                  0.975
 ROA2   Fr= 1--      -2.083                 17.575                -12.117
 CID2   Fr= 1--      -1.904                 11.291                -12.425
 Raman3 Fr= 1--       2.188                  3.113                  1.950
 ROA3   Fr= 1--      -6.465                 76.458                -57.708
 CID3   Fr= 1--      -2.954                 24.560                -29.587
 RC180  Fr= 1--       0.683                  0.696                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01     0.01   0.03  -0.01    -0.04  -0.08  -0.00
     2   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.00  -0.01  -0.02
     3   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.03   0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.05   0.04     0.03   0.09  -0.09
     5   6     0.02  -0.07  -0.03    -0.06   0.24   0.14    -0.01   0.17  -0.09
     6   6     0.00  -0.01  -0.01    -0.01   0.06   0.04    -0.03   0.04  -0.05
     7   8    -0.00  -0.03  -0.01     0.06  -0.07  -0.01    -0.14  -0.06  -0.07
     8   6    -0.02   0.01   0.02     0.02  -0.03  -0.05     0.07   0.03   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.01  -0.01  -0.05
    10   6     0.01   0.01   0.00    -0.01  -0.01  -0.05     0.04  -0.04   0.22
    11   6    -0.00   0.05   0.02    -0.02  -0.07  -0.06     0.08  -0.05   0.07
    12   1     0.00   0.00  -0.00    -0.05  -0.00   0.04     0.19  -0.08  -0.16
    13   1     0.00   0.00  -0.00     0.03  -0.03   0.04    -0.13   0.08  -0.15
    14   1    -0.00   0.01  -0.00     0.04   0.01   0.02    -0.12  -0.15  -0.03
    15   1     0.01   0.01   0.00    -0.01  -0.06  -0.08     0.00   0.19   0.37
    16   1     0.01   0.01   0.00    -0.04   0.03  -0.08     0.11  -0.24   0.38
    17   1     0.00  -0.00   0.00    -0.01   0.04   0.01    -0.07  -0.10  -0.03
    18   1    -0.01  -0.01   0.01     0.03   0.06  -0.02    -0.05  -0.09  -0.01
    19   1    -0.02   0.01   0.01     0.03   0.01  -0.04    -0.04  -0.09   0.05
    20   1    -0.03   0.02   0.03     0.03  -0.04  -0.09     0.10  -0.02   0.07
    21   1    -0.02  -0.01   0.02     0.03   0.00  -0.06     0.08   0.06   0.03
    22   1    -0.01   0.02   0.01     0.00  -0.07  -0.04     0.08   0.08   0.02
    23   1    -0.01   0.09   0.02     0.02  -0.33  -0.07     0.11   0.05  -0.11
    24   1     0.03  -0.13  -0.06    -0.12   0.51   0.24     0.01   0.22  -0.07
    25   1     0.35  -0.32   0.31     0.03  -0.37   0.14     0.15  -0.10   0.12
    26   1    -0.09   0.54   0.21    -0.03   0.14  -0.03     0.01  -0.08   0.18
    27   1    -0.24  -0.15  -0.46    -0.06  -0.19  -0.41     0.19  -0.06   0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.1455               245.4155               262.9542
 Red. masses --      1.3354                 1.8317                 2.7569
 Frc consts  --      0.0385                 0.0650                 0.1123
 IR Inten    --      0.1455                 0.7524                 0.1632
 RamAct Fr= 1--      0.5433                 0.5453                 6.0970
  Dep-P Fr= 1--      0.5330                 0.7186                 0.1798
  Dep-U Fr= 1--      0.6954                 0.8362                 0.3048
 Alpha2 Fr= 1--      0.0023                 0.0003                 0.0873
 Beta2  Fr= 1--      0.0630                 0.0760                 0.3097
 AlphaG Fr= 1--     -0.0124                -0.0034                -0.0645
 Gamma2 Fr= 1--     -0.5080                 0.4232                -0.1514
 Delta2 Fr= 1--     -0.0382                 0.3501                -0.1149
 Raman1 Fr= 1--       2.173                  2.181                 24.388
 ROA1   Fr= 1--     -49.989                 51.834                -18.215
 CID1   Fr= 1--     -23.004                 23.763                 -0.747
 Raman2 Fr= 1--       0.756                  0.912                  3.716
 ROA2   Fr= 1--     -11.887                  7.357                 -2.715
 CID2   Fr= 1--     -15.733                  8.067                 -0.731
 Raman3 Fr= 1--       1.511                  1.824                  7.432
 ROA3   Fr= 1--     -49.989                 51.834                -18.215
 CID3   Fr= 1--     -33.081                 28.416                 -2.451
 RC180  Fr= 1--       0.391                  0.672                 -0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01  -0.03    -0.11   0.07   0.08    -0.12   0.02   0.02
     2   6     0.01   0.02  -0.03     0.02  -0.01   0.07    -0.04   0.01   0.01
     3   6     0.00  -0.03  -0.02     0.01  -0.00   0.05    -0.03  -0.05  -0.01
     4   6     0.01  -0.05  -0.02     0.03  -0.03  -0.01     0.05  -0.13  -0.10
     5   6     0.01  -0.00   0.02    -0.00   0.01  -0.06     0.07  -0.00  -0.03
     6   6     0.02   0.00   0.01    -0.01   0.01  -0.05     0.10   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.01  -0.04     0.11   0.05  -0.01
     8   6    -0.10   0.02   0.03     0.09  -0.05  -0.03    -0.09  -0.00   0.01
     9   6    -0.01   0.04  -0.03     0.01  -0.01   0.06    -0.08   0.06   0.02
    10   6    -0.03   0.00   0.05     0.00  -0.00  -0.08    -0.13   0.01   0.02
    11   6     0.01   0.00  -0.00     0.05   0.00   0.03     0.18   0.01   0.06
    12   1     0.06   0.04  -0.07    -0.09   0.03   0.13    -0.09   0.08   0.03
    13   1    -0.07   0.09  -0.07     0.10  -0.07   0.12    -0.08   0.09   0.03
    14   1     0.00  -0.06  -0.03    -0.00   0.08   0.07    -0.08  -0.04  -0.01
    15   1    -0.06   0.07   0.10     0.01  -0.14  -0.17    -0.16   0.01   0.02
    16   1    -0.03  -0.07   0.10    -0.03   0.12  -0.18    -0.18  -0.01   0.03
    17   1    -0.05  -0.03  -0.03    -0.24   0.08   0.16     0.08   0.05   0.01
    18   1     0.14   0.12   0.00    -0.14   0.16  -0.06    -0.24  -0.21  -0.01
    19   1     0.16  -0.12  -0.06    -0.10   0.03   0.13    -0.29   0.21   0.08
    20   1    -0.38   0.26   0.41    -0.06   0.06   0.28    -0.03  -0.03  -0.20
    21   1    -0.39  -0.32  -0.24    -0.13  -0.16  -0.38     0.01   0.05   0.17
    22   1     0.31   0.11  -0.04     0.52  -0.07  -0.08    -0.33  -0.05   0.04
    23   1     0.01  -0.11  -0.04     0.09  -0.06  -0.03     0.09  -0.29  -0.16
    24   1     0.01   0.05   0.04    -0.04   0.04  -0.05     0.07   0.15   0.03
    25   1    -0.00  -0.00  -0.00     0.10   0.01   0.03     0.26   0.03   0.06
    26   1     0.01   0.00  -0.01     0.00  -0.03   0.09     0.11  -0.03   0.16
    27   1     0.00  -0.00  -0.00     0.09   0.01   0.03     0.24   0.03   0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    286.5650               319.1396               344.6984
 Red. masses --      1.1104                 2.3261                 2.5115
 Frc consts  --      0.0537                 0.1396                 0.1758
 IR Inten    --      0.0607                 1.0713                 2.2778
 RamAct Fr= 1--      0.8500                 2.2677                 0.3105
  Dep-P Fr= 1--      0.1817                 0.5161                 0.4888
  Dep-U Fr= 1--      0.3076                 0.6809                 0.6567
 Alpha2 Fr= 1--      0.0121                 0.0104                 0.0016
 Beta2  Fr= 1--      0.0436                 0.2573                 0.0340
 AlphaG Fr= 1--     -0.0113                 0.0534                -0.0073
 Gamma2 Fr= 1--      0.0224                 0.1836                -0.6471
 Delta2 Fr= 1--      0.0175                 0.0547                -0.2438
 Raman1 Fr= 1--       3.400                  9.071                  1.242
 ROA1   Fr= 1--       2.712                 19.378                -69.922
 CID1   Fr= 1--       0.798                  2.136                -56.299
 Raman2 Fr= 1--       0.523                  3.088                  0.408
 ROA2   Fr= 1--       0.398                  3.970                -13.579
 CID2   Fr= 1--       0.761                  1.286                -33.299
 Raman3 Fr= 1--       1.046                  6.176                  0.816
 ROA3   Fr= 1--       2.712                 19.378                -69.922
 CID3   Fr= 1--       2.593                  3.138                -85.733
 RC180  Fr= 1--      -0.385                  0.362                  0.313
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.03  -0.14  -0.04     0.12  -0.02   0.05
     2   6     0.03   0.01  -0.00    -0.04  -0.01  -0.04     0.00  -0.02   0.06
     3   6     0.02  -0.01   0.00    -0.06   0.01  -0.04     0.01  -0.02   0.13
     4   6     0.01  -0.03   0.00    -0.06   0.16   0.01     0.01   0.05   0.15
     5   6    -0.01  -0.00   0.00     0.01   0.03   0.02    -0.04   0.01  -0.00
     6   6    -0.03  -0.00   0.00     0.04   0.02   0.03    -0.01   0.04  -0.07
     7   8    -0.03  -0.01   0.01     0.09  -0.02   0.01    -0.05   0.00  -0.08
     8   6     0.01   0.01   0.01     0.07  -0.00  -0.07    -0.05  -0.10  -0.07
     9   6     0.03   0.01  -0.01    -0.09   0.00   0.11    -0.03   0.07  -0.11
    10   6     0.02   0.00   0.01    -0.09  -0.00   0.01    -0.08  -0.00  -0.05
    11   6    -0.04  -0.00  -0.02     0.05  -0.00   0.02     0.09   0.00   0.04
    12   1     0.04   0.02  -0.02    -0.26  -0.07   0.20     0.13   0.22  -0.17
    13   1     0.02   0.02  -0.02     0.06   0.04   0.27    -0.18   0.06  -0.26
    14   1     0.03  -0.01   0.00    -0.06  -0.05  -0.06     0.08  -0.01   0.14
    15   1     0.01   0.01   0.01    -0.04  -0.06  -0.04    -0.24  -0.11  -0.07
    16   1     0.02  -0.01   0.01    -0.17   0.04  -0.03    -0.03   0.09  -0.12
    17   1     0.54   0.10  -0.06     0.16  -0.19  -0.19     0.27  -0.02  -0.00
    18   1    -0.20  -0.50   0.06    -0.01  -0.32   0.06     0.17  -0.08   0.20
    19   1    -0.34   0.45  -0.01    -0.05  -0.08   0.02     0.12   0.02  -0.07
    20   1    -0.05   0.07   0.12     0.04  -0.00   0.13    -0.08  -0.03  -0.22
    21   1    -0.06  -0.07  -0.08    -0.03  -0.00  -0.30    -0.06  -0.09  -0.09
    22   1     0.14   0.04  -0.01     0.35   0.00  -0.11    -0.10  -0.27  -0.04
    23   1     0.01  -0.05  -0.01    -0.12   0.35   0.08     0.09   0.18   0.18
    24   1    -0.02   0.02   0.01     0.09  -0.14  -0.04    -0.14  -0.11  -0.04
    25   1    -0.07  -0.01  -0.02     0.05  -0.02   0.03     0.18   0.00   0.05
    26   1    -0.03   0.01  -0.04     0.04  -0.03   0.03     0.00  -0.07   0.16
    27   1    -0.07  -0.01  -0.02     0.09   0.00   0.00     0.20   0.02   0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    365.5603               412.3104               441.7611
 Red. masses --      2.3287                 2.6408                 2.2692
 Frc consts  --      0.1833                 0.2645                 0.2609
 IR Inten    --      0.1812                 1.8293                 0.4321
 RamAct Fr= 1--      1.6331                 2.3700                 0.4176
  Dep-P Fr= 1--      0.4018                 0.2535                 0.7262
  Dep-U Fr= 1--      0.5732                 0.4045                 0.8414
 Alpha2 Fr= 1--      0.0120                 0.0278                 0.0002
 Beta2  Fr= 1--      0.1560                 0.1598                 0.0586
 AlphaG Fr= 1--      0.0315                -0.0237                -0.0080
 Gamma2 Fr= 1--      0.1949                 0.3862                 0.3123
 Delta2 Fr= 1--      0.1536                 0.1009                 0.1835
 Raman1 Fr= 1--       6.532                  9.480                  1.670
 ROA1   Fr= 1--      23.622                 40.302                 35.849
 CID1   Fr= 1--       3.616                  4.251                 21.461
 Raman2 Fr= 1--       1.872                  1.917                  0.703
 ROA2   Fr= 1--       3.448                  8.461                  6.026
 CID2   Fr= 1--       1.841                  4.413                  8.576
 Raman3 Fr= 1--       3.745                  3.835                  1.405
 ROA3   Fr= 1--      23.622                 40.302                 35.849
 CID3   Fr= 1--       6.308                 10.510                 25.506
 RC180  Fr= 1--       0.146                 -0.191                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.16  -0.07    -0.04  -0.05  -0.13    -0.05   0.02  -0.00
     2   6    -0.06  -0.07  -0.03     0.05   0.05  -0.13     0.14  -0.02  -0.02
     3   6    -0.05  -0.07  -0.01     0.07  -0.04   0.04     0.07  -0.12  -0.03
     4   6    -0.05   0.06   0.03     0.02  -0.08   0.17     0.06   0.10  -0.01
     5   6    -0.02   0.01   0.01    -0.07  -0.03   0.05     0.06   0.06  -0.03
     6   6     0.01   0.03  -0.01    -0.03   0.03  -0.08     0.01   0.06   0.06
     7   8     0.05  -0.00  -0.03    -0.06   0.02  -0.08    -0.04  -0.06   0.03
     8   6     0.05   0.04   0.15    -0.05   0.13   0.02    -0.04  -0.04   0.05
     9   6    -0.05  -0.10  -0.06     0.04   0.00   0.09     0.04   0.10   0.02
    10   6    -0.03  -0.10  -0.04     0.03  -0.01   0.01    -0.09  -0.07  -0.03
    11   6     0.06  -0.00   0.03     0.06   0.00   0.02    -0.05  -0.00  -0.04
    12   1    -0.02  -0.09  -0.07    -0.18  -0.16   0.18     0.02   0.16   0.04
    13   1    -0.07  -0.13  -0.09     0.23   0.09   0.29     0.03   0.20   0.05
    14   1    -0.04  -0.08  -0.02     0.24  -0.13   0.03     0.05  -0.19  -0.05
    15   1    -0.06  -0.12  -0.05     0.04  -0.15  -0.08    -0.16  -0.18  -0.08
    16   1    -0.01  -0.07  -0.07    -0.03   0.09  -0.08    -0.22   0.01  -0.09
    17   1     0.15   0.30   0.15    -0.12  -0.12  -0.22    -0.18   0.04   0.09
    18   1     0.05   0.22  -0.08    -0.07  -0.08  -0.17    -0.15   0.05  -0.23
    19   1    -0.00   0.28  -0.31    -0.03  -0.11   0.02    -0.10   0.04   0.15
    20   1     0.10  -0.08   0.38    -0.07   0.15   0.05    -0.13   0.09  -0.05
    21   1     0.07   0.03   0.21    -0.02   0.02   0.20    -0.05  -0.22   0.22
    22   1     0.11   0.30   0.12    -0.17   0.30   0.02    -0.21  -0.02   0.07
    23   1    -0.07   0.18   0.07     0.04  -0.08   0.16     0.06   0.37   0.08
    24   1    -0.01  -0.10  -0.03    -0.24  -0.04   0.04     0.16  -0.18  -0.11
    25   1     0.10  -0.01   0.04     0.16   0.01   0.03    -0.23  -0.07  -0.02
    26   1     0.01  -0.06   0.09    -0.03  -0.06   0.16     0.05  -0.00  -0.19
    27   1     0.14   0.01   0.02     0.17   0.02   0.03    -0.06  -0.02  -0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    514.1255               585.6902               594.9856
 Red. masses --      2.8326                 2.5264                 2.9181
 Frc consts  --      0.4411                 0.5106                 0.6086
 IR Inten    --     13.2130                 1.8589                 7.3963
 RamAct Fr= 1--      1.6022                 1.9939                 5.4074
  Dep-P Fr= 1--      0.2136                 0.0256                 0.6685
  Dep-U Fr= 1--      0.3521                 0.0499                 0.8013
 Alpha2 Fr= 1--      0.0210                 0.0417                 0.0078
 Beta2  Fr= 1--      0.0940                 0.0166                 0.7222
 AlphaG Fr= 1--     -0.0209                -0.1618                -0.0337
 Gamma2 Fr= 1--     -0.6637                 0.1165                -0.8307
 Delta2 Fr= 1--     -0.1478                -0.1775                 0.0605
 Raman1 Fr= 1--       6.409                  7.976                 21.630
 ROA1   Fr= 1--     -68.441                  5.504                -77.810
 CID1   Fr= 1--     -10.679                  0.690                 -3.597
 Raman2 Fr= 1--       1.128                  0.199                  8.666
 ROA2   Fr= 1--     -14.745                  4.216                -20.420
 CID2   Fr= 1--     -13.070                 21.181                 -2.356
 Raman3 Fr= 1--       2.256                  0.398                 17.332
 ROA3   Fr= 1--     -68.441                  5.504                -77.810
 CID3   Fr= 1--     -30.332                 13.824                 -4.489
 RC180  Fr= 1--      -0.296                 -0.900                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.07     0.01   0.00   0.06    -0.01  -0.01  -0.06
     2   6    -0.13   0.00  -0.03    -0.06   0.06   0.03    -0.01  -0.08  -0.01
     3   6     0.02   0.00   0.16    -0.02  -0.02   0.03     0.04   0.08  -0.10
     4   6     0.16   0.01   0.01     0.02  -0.09  -0.04    -0.00  -0.05   0.06
     5   6     0.13   0.04  -0.06     0.02  -0.08  -0.04     0.03  -0.07   0.09
     6   6     0.09  -0.06   0.03    -0.04   0.25   0.10     0.05   0.11   0.03
     7   8    -0.12  -0.02   0.07     0.02  -0.08  -0.02    -0.13  -0.05  -0.01
     8   6    -0.01   0.06  -0.01    -0.03   0.11  -0.05     0.03  -0.15   0.06
     9   6    -0.11  -0.06  -0.01     0.01  -0.05  -0.01    -0.09   0.02   0.00
    10   6    -0.05  -0.01   0.00     0.03  -0.02  -0.01    -0.01   0.15   0.00
    11   6     0.00   0.03  -0.08    -0.01   0.02   0.01     0.11   0.06  -0.09
    12   1    -0.20  -0.13   0.03     0.03  -0.08  -0.03    -0.19   0.07   0.07
    13   1    -0.02  -0.08   0.06    -0.01  -0.10  -0.05     0.02  -0.03   0.09
    14   1     0.04  -0.03   0.15    -0.04  -0.02   0.03     0.12   0.18  -0.06
    15   1    -0.17  -0.19  -0.08     0.03  -0.08  -0.04     0.04   0.47   0.18
    16   1     0.03   0.15  -0.12     0.06   0.03  -0.05     0.03  -0.14   0.24
    17   1     0.12  -0.03  -0.14     0.04  -0.05  -0.05    -0.00   0.06   0.07
    18   1     0.12   0.00   0.14     0.06  -0.02   0.19    -0.03   0.04  -0.14
    19   1     0.09  -0.04  -0.24     0.05  -0.04   0.04    -0.03   0.05  -0.14
    20   1     0.06  -0.05   0.08     0.01   0.07  -0.06     0.06  -0.19   0.11
    21   1     0.02   0.15  -0.03    -0.02   0.18  -0.12     0.04  -0.14   0.07
    22   1     0.04   0.14  -0.03     0.02   0.06  -0.05     0.05  -0.10   0.06
    23   1     0.37  -0.09  -0.04     0.03   0.07   0.02    -0.15  -0.04   0.08
    24   1     0.15   0.17  -0.01     0.06  -0.24  -0.10    -0.05  -0.12   0.07
    25   1    -0.12   0.06  -0.12    -0.40  -0.30   0.17    -0.09  -0.07  -0.03
    26   1     0.15   0.20  -0.29     0.06  -0.28  -0.11     0.20  -0.01  -0.22
    27   1    -0.26  -0.00  -0.05     0.42  -0.01  -0.27     0.21   0.04  -0.20
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.6607               729.6673               800.7121
 Red. masses --      3.4855                 1.9784                 1.8776
 Frc consts  --      0.8168                 0.6206                 0.7092
 IR Inten    --      6.9052                 0.8473                 1.3251
 RamAct Fr= 1--     11.8682                 9.5794                26.4193
  Dep-P Fr= 1--      0.0446                 0.0258                 0.3827
  Dep-U Fr= 1--      0.0854                 0.0503                 0.5536
 Alpha2 Fr= 1--      0.2375                 0.2004                 0.2079
 Beta2  Fr= 1--      0.1690                 0.0803                 2.4375
 AlphaG Fr= 1--      0.1852                 0.0580                -0.0366
 Gamma2 Fr= 1--      1.1016                -0.4535                -0.7719
 Delta2 Fr= 1--     -0.3452                 0.5160                 0.4637
 Raman1 Fr= 1--      47.473                 38.317                105.677
 ROA1   Fr= 1--      94.710                -27.028                -59.268
 CID1   Fr= 1--       1.995                 -0.705                 -0.561
 Raman2 Fr= 1--       2.028                  0.963                 29.250
 ROA2   Fr= 1--      29.201                -15.013                -22.236
 CID2   Fr= 1--      14.402                -15.583                 -0.760
 Raman3 Fr= 1--       4.055                  1.927                 58.500
 ROA3   Fr= 1--      94.710                -27.028                -59.268
 CID3   Fr= 1--      23.355                -14.028                 -1.013
 RC180  Fr= 1--      -0.829                 -0.899                  0.107
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.13     0.02   0.01   0.13     0.02   0.00  -0.00
     2   6     0.01   0.07   0.03    -0.00   0.01   0.00     0.12   0.01  -0.02
     3   6    -0.07  -0.06  -0.10     0.09  -0.09  -0.08    -0.10   0.01   0.13
     4   6    -0.11   0.01   0.01     0.07  -0.01   0.04    -0.07   0.02  -0.04
     5   6    -0.00  -0.00   0.14     0.02   0.06   0.02    -0.06  -0.03  -0.05
     6   6     0.11  -0.05   0.00    -0.01  -0.02  -0.03     0.00  -0.01   0.04
     7   8    -0.15  -0.02   0.04     0.01   0.01  -0.02     0.01  -0.01   0.04
     8   6    -0.02   0.13  -0.06    -0.02   0.09  -0.04     0.04   0.01  -0.01
     9   6     0.08  -0.04   0.01    -0.08  -0.07  -0.06    -0.03  -0.01  -0.09
    10   6    -0.00  -0.13  -0.01    -0.03   0.03  -0.06     0.04  -0.01  -0.03
    11   6     0.19   0.07  -0.14    -0.05  -0.03   0.03     0.06   0.03  -0.03
    12   1     0.24  -0.03  -0.09    -0.37  -0.02   0.12    -0.41   0.01   0.14
    13   1    -0.08  -0.02  -0.13     0.19  -0.27   0.12     0.32  -0.10   0.21
    14   1    -0.12  -0.09  -0.11     0.18  -0.04  -0.07    -0.21  -0.03   0.11
    15   1     0.10  -0.17  -0.06    -0.15   0.38   0.19    -0.25   0.10   0.12
    16   1    -0.12  -0.10  -0.05     0.09  -0.35   0.24     0.42  -0.09   0.04
    17   1    -0.01  -0.03   0.05     0.02   0.02   0.14    -0.02  -0.00   0.01
    18   1    -0.00  -0.03   0.14     0.02   0.01   0.14    -0.03  -0.02  -0.10
    19   1     0.01  -0.01   0.24     0.01   0.01   0.15    -0.01   0.01   0.11
    20   1    -0.04   0.15  -0.11    -0.03   0.11  -0.06    -0.13   0.22  -0.10
    21   1    -0.04   0.16  -0.13    -0.03   0.09  -0.06    -0.03  -0.25   0.12
    22   1     0.01   0.04  -0.06    -0.02   0.07  -0.04    -0.12  -0.02   0.02
    23   1    -0.32   0.02   0.03     0.06   0.16   0.10    -0.00  -0.07  -0.07
    24   1    -0.03  -0.06   0.11     0.03  -0.15  -0.05    -0.05   0.13   0.00
    25   1     0.21   0.15  -0.19     0.05   0.04  -0.01    -0.01  -0.01  -0.01
    26   1     0.27   0.23  -0.25    -0.09   0.02   0.08     0.11   0.03  -0.10
    27   1    -0.03   0.06  -0.06    -0.12  -0.02   0.09     0.07   0.02  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    853.6635               880.8793               904.7358
 Red. masses --      2.1341                 1.9150                 1.9728
 Frc consts  --      0.9163                 0.8755                 0.9515
 IR Inten    --      0.7985                 0.7217                 7.4362
 RamAct Fr= 1--      3.3841                 6.8095                22.1663
  Dep-P Fr= 1--      0.7468                 0.7216                 0.4409
  Dep-U Fr= 1--      0.8551                 0.8383                 0.6119
 Alpha2 Fr= 1--      0.0002                 0.0033                 0.1409
 Beta2  Fr= 1--      0.4823                 0.9514                 2.2608
 AlphaG Fr= 1--      0.0212                -0.0250                 0.1189
 Gamma2 Fr= 1--      0.2779                -1.3693                -1.9526
 Delta2 Fr= 1--     -1.2087                 1.2720                -1.4467
 Raman1 Fr= 1--      13.536                 27.238                 88.665
 ROA1   Fr= 1--     -12.001                -90.752               -233.741
 CID1   Fr= 1--      -0.887                 -3.332                 -2.636
 Raman2 Fr= 1--       5.787                 11.417                 27.129
 ROA2   Fr= 1--      16.339                -43.040                -35.287
 CID2   Fr= 1--       2.823                 -3.770                 -1.301
 Raman3 Fr= 1--      11.575                 22.833                 54.258
 ROA3   Fr= 1--     -12.001                -90.752               -233.741
 CID3   Fr= 1--      -1.037                 -3.975                 -4.308
 RC180  Fr= 1--       0.710                  0.677                  0.224
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.05    -0.05  -0.00  -0.03    -0.01  -0.00   0.08
     2   6     0.08  -0.03  -0.03    -0.10  -0.00   0.03    -0.04  -0.00  -0.05
     3   6     0.01   0.11  -0.03    -0.00  -0.01  -0.00     0.01  -0.04  -0.01
     4   6     0.03   0.12   0.06    -0.00   0.06   0.02    -0.01   0.03  -0.06
     5   6     0.08  -0.14  -0.00     0.02  -0.06  -0.01     0.12  -0.04   0.14
     6   6     0.01   0.02  -0.03     0.00  -0.00  -0.00    -0.01   0.01  -0.04
     7   8    -0.01   0.01  -0.04    -0.00   0.00  -0.00    -0.03   0.02  -0.06
     8   6     0.02   0.03  -0.03    -0.05  -0.02   0.02     0.00  -0.04   0.00
     9   6    -0.05  -0.08   0.00     0.16   0.12  -0.01    -0.05   0.08  -0.06
    10   6    -0.09  -0.08   0.01    -0.01  -0.12  -0.07     0.09   0.01   0.06
    11   6    -0.05   0.02   0.03    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    12   1     0.06  -0.10  -0.07    -0.12   0.26   0.18    -0.26  -0.13   0.02
    13   1    -0.15  -0.02  -0.07     0.35   0.12   0.17     0.13   0.24   0.17
    14   1     0.07   0.11  -0.03    -0.02   0.08   0.02    -0.14  -0.31  -0.10
    15   1     0.01  -0.03   0.01    -0.18   0.16   0.16    -0.08  -0.28  -0.08
    16   1    -0.21  -0.12   0.04    -0.00  -0.40   0.16     0.27   0.30  -0.17
    17   1    -0.05   0.03   0.13     0.07  -0.01  -0.09     0.07   0.04   0.12
    18   1    -0.06  -0.01  -0.14     0.08   0.03   0.20     0.06   0.05   0.17
    19   1    -0.04   0.05   0.18     0.05  -0.05  -0.22     0.03   0.01  -0.08
    20   1    -0.06   0.13  -0.05     0.11  -0.22   0.09     0.01  -0.05   0.03
    21   1    -0.01  -0.08   0.04     0.02   0.23  -0.11     0.01  -0.05   0.04
    22   1    -0.05   0.06  -0.02     0.10  -0.02  -0.00    -0.02   0.01   0.00
    23   1     0.04  -0.30  -0.08     0.03  -0.11  -0.04    -0.21  -0.04  -0.07
    24   1    -0.05   0.62   0.27    -0.04   0.26   0.10     0.24   0.07   0.18
    25   1    -0.17  -0.12   0.11    -0.06  -0.04   0.04     0.10  -0.01   0.01
    26   1    -0.06  -0.12   0.03    -0.00  -0.04  -0.01    -0.20  -0.11   0.19
    27   1     0.13   0.00  -0.09     0.05   0.00  -0.04     0.12   0.03   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    915.7661               950.4378               958.9494
 Red. masses --      2.4832                 2.0266                 1.6126
 Frc consts  --      1.2269                 1.0786                 0.8737
 IR Inten    --      0.7214                20.6559                17.2748
 RamAct Fr= 1--     16.2592                14.4128                18.8514
  Dep-P Fr= 1--      0.3687                 0.5589                 0.3544
  Dep-U Fr= 1--      0.5387                 0.7170                 0.5234
 Alpha2 Fr= 1--      0.1342                 0.0524                 0.1631
 Beta2  Fr= 1--      1.4599                 1.7224                 1.6444
 AlphaG Fr= 1--      0.6004                 0.1263                 0.4767
 Gamma2 Fr= 1--      2.4753                 3.2494                 3.4103
 Delta2 Fr= 1--      0.3130                -0.8669                 1.1843
 Raman1 Fr= 1--      65.037                 57.651                 75.405
 ROA1   Fr= 1--     247.648                284.204                365.282
 CID1   Fr= 1--       3.808                  4.930                  4.844
 Raman2 Fr= 1--      17.519                 20.669                 19.733
 ROA2   Fr= 1--      56.905                 84.921                 72.372
 CID2   Fr= 1--       3.248                  4.109                  3.668
 Raman3 Fr= 1--      35.038                 41.337                 39.465
 ROA3   Fr= 1--     247.648                284.204                365.282
 CID3   Fr= 1--       7.068                  6.875                  9.256
 RC180  Fr= 1--       0.077                  0.434                  0.047
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.13    -0.01   0.06   0.00    -0.01   0.08   0.07
     2   6     0.06   0.04   0.08    -0.01   0.07  -0.01    -0.00   0.03  -0.08
     3   6    -0.08   0.08   0.07     0.04  -0.01   0.01    -0.04   0.07   0.00
     4   6     0.04  -0.05  -0.05    -0.02   0.02  -0.03     0.01  -0.03   0.01
     5   6     0.13   0.04   0.16     0.00  -0.02   0.01    -0.00   0.03   0.01
     6   6     0.02   0.03  -0.05    -0.06  -0.02   0.02     0.06   0.02  -0.02
     7   8    -0.04   0.02  -0.08     0.00  -0.01   0.03    -0.00   0.01  -0.04
     8   6     0.03   0.03   0.03     0.01  -0.07   0.01     0.02  -0.09  -0.04
     9   6     0.03  -0.05   0.01     0.14  -0.10  -0.05     0.00   0.01  -0.02
    10   6    -0.06  -0.07  -0.03    -0.13   0.11   0.05    -0.01  -0.06  -0.00
    11   6    -0.07  -0.03   0.00     0.00   0.03  -0.07    -0.00  -0.03   0.07
    12   1     0.04   0.14   0.04     0.05  -0.20  -0.01    -0.03  -0.12  -0.03
    13   1     0.02  -0.21  -0.05     0.27  -0.38  -0.04     0.01   0.19   0.05
    14   1    -0.27   0.29   0.12     0.03  -0.13  -0.03    -0.03   0.15   0.03
    15   1    -0.12   0.09   0.09    -0.33  -0.03   0.01     0.09  -0.01   0.00
    16   1     0.01  -0.21   0.08    -0.29   0.18  -0.00    -0.06  -0.09   0.02
    17   1    -0.05  -0.05  -0.22    -0.02  -0.10  -0.30     0.01  -0.11  -0.29
    18   1    -0.04  -0.05  -0.16     0.02  -0.08   0.19     0.04  -0.09   0.33
    19   1    -0.01  -0.03  -0.01     0.06  -0.08   0.18     0.08  -0.10   0.24
    20   1    -0.06   0.17  -0.13     0.04  -0.13   0.13     0.01  -0.13   0.23
    21   1    -0.04  -0.05  -0.04     0.05  -0.08   0.11     0.09  -0.26   0.27
    22   1    -0.01  -0.19   0.05     0.00   0.08  -0.00    -0.09   0.33  -0.07
    23   1    -0.11   0.07   0.00    -0.02   0.01  -0.03    -0.02  -0.04   0.01
    24   1     0.33  -0.39   0.01     0.09   0.11   0.05    -0.06  -0.22  -0.08
    25   1     0.09   0.02  -0.01     0.20   0.02  -0.04    -0.21  -0.01   0.03
    26   1    -0.19  -0.06   0.18    -0.13  -0.07   0.13     0.14   0.08  -0.13
    27   1    -0.03   0.00   0.08     0.21   0.07  -0.04    -0.24  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    967.8161               970.5744              1004.6074
 Red. masses --      1.7959                 1.6004                 1.4682
 Frc consts  --      0.9911                 0.8882                 0.8730
 IR Inten    --     22.8571                 4.1254                 0.7502
 RamAct Fr= 1--     20.7074                13.2401                16.4170
  Dep-P Fr= 1--      0.2321                 0.3818                 0.2984
  Dep-U Fr= 1--      0.3767                 0.5526                 0.4597
 Alpha2 Fr= 1--      0.2579                 0.1045                 0.1692
 Beta2  Fr= 1--      1.3001                 1.2195                 1.2577
 AlphaG Fr= 1--     -0.9456                 0.2997                 0.3522
 Gamma2 Fr= 1--     -7.3545                 2.6648                 5.8243
 Delta2 Fr= 1--     -3.3943                 0.9331                 1.2092
 Raman1 Fr= 1--      82.829                 52.960                 65.668
 ROA1   Fr= 1--    -814.652                285.683                597.825
 CID1   Fr= 1--      -9.835                  5.394                  9.104
 Raman2 Fr= 1--      15.601                 14.633                 15.092
 ROA2   Fr= 1--    -149.354                 56.492                130.108
 CID2   Fr= 1--      -9.573                  3.860                  8.621
 Raman3 Fr= 1--      31.202                 29.267                 30.184
 ROA3   Fr= 1--    -814.652                285.683                597.825
 CID3   Fr= 1--     -26.109                  9.761                 19.806
 RC180  Fr= 1--      -0.247                  0.105                 -0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.05    -0.02  -0.08   0.04     0.08  -0.04   0.03
     2   6    -0.01   0.05   0.05     0.01  -0.04  -0.03     0.01  -0.08  -0.03
     3   6    -0.02  -0.10  -0.03     0.01   0.08   0.00    -0.03   0.03   0.05
     4   6    -0.03   0.03   0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.02
     5   6     0.01  -0.04   0.01    -0.02   0.02   0.00     0.01   0.01   0.02
     6   6     0.10   0.03  -0.04     0.04   0.02  -0.01     0.01   0.01  -0.01
     7   8    -0.01   0.02  -0.07    -0.00   0.01  -0.03    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.05     0.01   0.03   0.01    -0.09   0.01  -0.08
     9   6     0.01  -0.02   0.00     0.10  -0.02  -0.07     0.05   0.00   0.02
    10   6     0.02   0.09   0.01    -0.08   0.02   0.06    -0.02   0.04   0.00
    11   6    -0.01  -0.04   0.12     0.01  -0.02   0.06    -0.01  -0.00   0.01
    12   1     0.02   0.11   0.02    -0.09  -0.35  -0.02     0.08   0.26   0.06
    13   1     0.03  -0.31  -0.08     0.29   0.10   0.14     0.02  -0.11  -0.05
    14   1    -0.10  -0.31  -0.09    -0.03   0.06  -0.01    -0.06  -0.09   0.01
    15   1    -0.14  -0.01  -0.01    -0.13  -0.10  -0.01    -0.20   0.02   0.04
    16   1     0.12   0.16  -0.05    -0.26   0.13  -0.02     0.14   0.07  -0.02
    17   1    -0.07  -0.05  -0.18     0.10   0.15   0.41    -0.11   0.05   0.26
    18   1    -0.04  -0.06  -0.08     0.05   0.16  -0.05    -0.11  -0.02  -0.37
    19   1    -0.01  -0.01   0.13    -0.03   0.08  -0.34    -0.08   0.09   0.22
    20   1     0.03  -0.03  -0.05    -0.03   0.10  -0.13     0.14  -0.33   0.25
    21   1    -0.02   0.10  -0.10    -0.04   0.03  -0.09     0.08   0.25   0.02
    22   1     0.07  -0.20   0.06     0.01  -0.15   0.03     0.07   0.42  -0.15
    23   1    -0.13   0.04   0.02    -0.08  -0.04  -0.01    -0.01  -0.05  -0.03
    24   1    -0.18   0.24   0.11    -0.08  -0.19  -0.07     0.06  -0.12  -0.02
    25   1    -0.38  -0.06   0.08    -0.16  -0.01   0.02    -0.02  -0.00   0.01
    26   1     0.22   0.10  -0.22     0.13   0.08  -0.12    -0.00  -0.00   0.00
    27   1    -0.32  -0.12   0.03    -0.19  -0.06   0.03    -0.02  -0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1022.7939              1030.4061              1052.3867
 Red. masses --      1.5494                 1.4418                 1.6726
 Frc consts  --      0.9550                 0.9020                 1.0915
 IR Inten    --      6.6896                21.3076                 1.3480
 RamAct Fr= 1--      5.0065                 6.5292                 4.4593
  Dep-P Fr= 1--      0.2100                 0.7277                 0.6174
  Dep-U Fr= 1--      0.3471                 0.8424                 0.7634
 Alpha2 Fr= 1--      0.0662                 0.0025                 0.0108
 Beta2  Fr= 1--      0.2896                 0.9167                 0.5674
 AlphaG Fr= 1--     -0.4686                -0.1466                -0.3533
 Gamma2 Fr= 1--     -2.6661                -1.7384                -2.1767
 Delta2 Fr= 1--     -0.3192                -0.6426                -0.0981
 Raman1 Fr= 1--      20.026                 26.117                 17.837
 ROA1   Fr= 1--    -266.162               -187.445               -212.103
 CID1   Fr= 1--     -13.291                 -7.177                -11.891
 Raman2 Fr= 1--       3.476                 11.000                  6.809
 ROA2   Fr= 1--     -61.433                -36.580                -51.457
 CID2   Fr= 1--     -17.676                 -3.325                 -7.558
 Raman3 Fr= 1--       6.951                 22.000                 13.617
 ROA3   Fr= 1--    -266.162               -187.445               -212.103
 CID3   Fr= 1--     -38.291                 -8.520                -15.576
 RC180  Fr= 1--      -0.306                  0.685                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.04  -0.01     0.03   0.01   0.00     0.01  -0.00   0.00
     2   6     0.00   0.07  -0.02     0.00   0.02  -0.02     0.00   0.00  -0.01
     3   6     0.03   0.07  -0.04    -0.00   0.07   0.00    -0.01   0.03   0.01
     4   6     0.01   0.01   0.03     0.02  -0.09  -0.02     0.02  -0.09  -0.03
     5   6    -0.02   0.04  -0.01     0.00  -0.04  -0.02    -0.01   0.05   0.02
     6   6    -0.01  -0.03   0.00    -0.02   0.09   0.04     0.03  -0.16  -0.06
     7   8     0.01  -0.00   0.02     0.00  -0.02  -0.00    -0.01   0.03   0.01
     8   6    -0.05  -0.03   0.09    -0.02  -0.02   0.02    -0.01  -0.00   0.00
     9   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.03     0.00  -0.00  -0.01
    10   6    -0.00  -0.08   0.03    -0.01  -0.04   0.01    -0.01  -0.01   0.00
    11   6     0.00   0.02  -0.00     0.01  -0.08  -0.03    -0.02   0.11   0.04
    12   1    -0.18  -0.13  -0.01    -0.07  -0.08  -0.01    -0.01  -0.04  -0.01
    13   1     0.05   0.12   0.08     0.03   0.11   0.05     0.01   0.05   0.02
    14   1     0.12  -0.08  -0.08     0.02   0.00  -0.02    -0.01   0.00  -0.00
    15   1    -0.08  -0.17  -0.00     0.00  -0.05   0.00     0.03   0.00  -0.00
    16   1     0.08   0.00  -0.04     0.03  -0.02  -0.01     0.01  -0.01  -0.00
    17   1    -0.14  -0.05  -0.11    -0.05  -0.01  -0.01    -0.01  -0.00   0.01
    18   1    -0.10  -0.09  -0.21    -0.03  -0.03  -0.08     0.00  -0.00  -0.01
    19   1    -0.03   0.03   0.37    -0.02   0.02   0.13    -0.00   0.01   0.01
    20   1     0.12  -0.20  -0.05     0.06  -0.10   0.01     0.01  -0.03   0.01
    21   1    -0.03   0.29  -0.23     0.00   0.11  -0.07     0.00   0.02  -0.01
    22   1     0.19  -0.35   0.09     0.07  -0.07   0.02     0.01   0.00  -0.00
    23   1     0.06  -0.29  -0.08    -0.08   0.60   0.22    -0.08   0.59   0.22
    24   1    -0.01  -0.29  -0.13    -0.09   0.43   0.15    -0.04   0.20   0.07
    25   1    -0.03  -0.04   0.03     0.23   0.18  -0.16    -0.30  -0.25   0.23
    26   1     0.01  -0.04  -0.01    -0.04   0.16   0.07     0.04  -0.24  -0.08
    27   1     0.09   0.02  -0.06    -0.22  -0.03   0.21     0.34   0.05  -0.30
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1097.4212              1155.8150              1183.5416
 Red. masses --      1.8682                 1.9414                 1.9104
 Frc consts  --      1.3256                 1.5281                 1.5767
 IR Inten    --     15.7117                18.9303                40.4280
 RamAct Fr= 1--     95.2210                58.2889                51.8272
  Dep-P Fr= 1--      0.2482                 0.3758                 0.3706
  Dep-U Fr= 1--      0.3977                 0.5463                 0.5408
 Alpha2 Fr= 1--      1.1343                 0.4697                 0.4251
 Beta2  Fr= 1--      6.3113                 5.3075                 4.6714
 AlphaG Fr= 1--     -0.4542                 0.1040                 0.0367
 Gamma2 Fr= 1--     -4.1524                 0.4938                 7.5758
 Delta2 Fr= 1--      4.7790                 0.8497                 1.6678
 Raman1 Fr= 1--     380.884                233.156                207.309
 ROA1   Fr= 1--    -245.700                 74.600                780.643
 CID1   Fr= 1--      -0.645                  0.320                  3.766
 Raman2 Fr= 1--      75.735                 63.690                 56.056
 ROA2   Fr= 1--    -137.889                  5.055                168.476
 CID2   Fr= 1--      -1.821                  0.079                  3.005
 Raman3 Fr= 1--     151.471                127.379                112.113
 ROA3   Fr= 1--    -245.700                 74.600                780.643
 CID3   Fr= 1--      -1.622                  0.586                  6.963
 RC180  Fr= 1--      -0.205                  0.093                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.02   0.03  -0.03    -0.09   0.02   0.01
     2   6     0.02  -0.03   0.05     0.04  -0.04   0.06     0.20  -0.03  -0.03
     3   6     0.18   0.12  -0.04     0.14  -0.10   0.09    -0.02  -0.01   0.00
     4   6    -0.03  -0.01  -0.05    -0.09   0.04  -0.09     0.01   0.01   0.00
     5   6    -0.04   0.00  -0.00    -0.01  -0.03   0.04    -0.00   0.00  -0.01
     6   6    -0.03  -0.00   0.00    -0.06  -0.01  -0.01     0.08   0.01   0.00
     7   8     0.01   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.02
     8   6     0.02   0.02  -0.03    -0.05   0.02  -0.01    -0.09   0.01   0.02
     9   6    -0.05  -0.01   0.03    -0.04  -0.01  -0.04    -0.01  -0.08   0.02
    10   6    -0.01  -0.08   0.07     0.00   0.02   0.00    -0.08   0.04  -0.02
    11   6     0.03  -0.00   0.01     0.05  -0.00   0.03    -0.04   0.00  -0.02
    12   1    -0.05   0.44   0.11    -0.08  -0.27  -0.07     0.10  -0.02  -0.03
    13   1    -0.08  -0.24  -0.08     0.00   0.25   0.09    -0.12   0.32   0.06
    14   1     0.14  -0.02  -0.08     0.10   0.56   0.28    -0.15   0.00  -0.00
    15   1    -0.44  -0.30   0.05     0.13   0.03  -0.02     0.04   0.11  -0.01
    16   1     0.26   0.09  -0.07    -0.19  -0.03   0.05     0.39   0.07  -0.04
    17   1     0.06  -0.02  -0.11    -0.04  -0.04  -0.12     0.18  -0.01  -0.15
    18   1     0.05   0.01   0.17    -0.03  -0.07  -0.04     0.10   0.06   0.36
    19   1     0.04  -0.06  -0.15     0.02  -0.02   0.11     0.10  -0.13  -0.20
    20   1    -0.04   0.08   0.00     0.05  -0.10   0.04     0.11  -0.20  -0.01
    21   1     0.01  -0.07   0.06     0.01   0.20  -0.06     0.01   0.33  -0.14
    22   1    -0.06   0.11  -0.03     0.06   0.08  -0.03     0.19  -0.01  -0.01
    23   1    -0.32  -0.00  -0.04    -0.21   0.03  -0.09    -0.08  -0.04  -0.01
    24   1    -0.14  -0.05  -0.02     0.23   0.09   0.08    -0.23  -0.04  -0.03
    25   1    -0.05   0.01  -0.01    -0.10   0.02  -0.00     0.05  -0.03   0.02
    26   1     0.09   0.05  -0.08     0.17   0.07  -0.15    -0.13  -0.07   0.12
    27   1    -0.05  -0.02  -0.01    -0.07  -0.04  -0.04     0.04   0.03   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.3048              1217.0610              1232.2660
 Red. masses --      1.6011                 1.8362                 1.8176
 Frc consts  --      1.3276                 1.6025                 1.6262
 IR Inten    --     22.8343                 6.2425                29.9138
 RamAct Fr= 1--      7.6971                33.7350                 4.2230
  Dep-P Fr= 1--      0.5710                 0.3414                 0.5852
  Dep-U Fr= 1--      0.7269                 0.5090                 0.7384
 Alpha2 Fr= 1--      0.0260                 0.3045                 0.0130
 Beta2  Fr= 1--      0.9325                 2.8618                 0.5197
 AlphaG Fr= 1--      0.0240                -0.0617                 0.0026
 Gamma2 Fr= 1--     -5.7211                -6.6815                 1.1013
 Delta2 Fr= 1--     -1.4314                -4.5593                 0.2963
 Raman1 Fr= 1--      30.788                134.940                 16.892
 ROA1   Fr= 1--    -595.031               -787.322                115.206
 CID1   Fr= 1--     -19.326                 -5.835                  6.820
 Raman2 Fr= 1--      11.190                 34.342                  6.236
 ROA2   Fr= 1--    -125.855               -123.882                 24.061
 CID2   Fr= 1--     -11.247                 -3.607                  3.858
 Raman3 Fr= 1--      22.380                 68.684                 12.472
 ROA3   Fr= 1--    -595.031               -787.322                115.206
 CID3   Fr= 1--     -26.588                -11.463                  9.237
 RC180  Fr= 1--       0.454                  0.018                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.03     0.05   0.01   0.01     0.03   0.04  -0.02
     2   6     0.02   0.03  -0.08    -0.13  -0.02  -0.04    -0.07  -0.10   0.05
     3   6    -0.03   0.04   0.03     0.07  -0.01   0.07    -0.03  -0.02  -0.10
     4   6    -0.03  -0.01  -0.01    -0.06   0.01  -0.06     0.08  -0.00   0.08
     5   6     0.00  -0.01   0.04    -0.00   0.00  -0.01     0.02   0.00  -0.01
     6   6    -0.14  -0.02  -0.00     0.11   0.02  -0.00    -0.11  -0.02  -0.00
     7   8     0.01   0.02  -0.04    -0.01  -0.01   0.01     0.02   0.00  -0.00
     8   6     0.00  -0.01   0.03     0.06   0.02   0.02     0.03   0.03  -0.01
     9   6     0.02  -0.04   0.06     0.05  -0.05   0.07     0.06  -0.07  -0.02
    10   6    -0.05   0.00  -0.05    -0.03   0.03  -0.08    -0.03   0.04   0.03
    11   6     0.07  -0.00   0.04    -0.04  -0.00  -0.02     0.03   0.00   0.01
    12   1     0.15   0.05  -0.00     0.21  -0.13  -0.04     0.02   0.10   0.04
    13   1    -0.12   0.11  -0.02    -0.16   0.47   0.06     0.02   0.50   0.15
    14   1     0.34  -0.33  -0.05     0.30  -0.08   0.06    -0.49   0.23  -0.06
    15   1    -0.02   0.14   0.03    -0.31   0.15   0.07    -0.19  -0.04   0.01
    16   1     0.28  -0.05  -0.00     0.28  -0.10   0.02     0.29   0.17  -0.07
    17   1     0.07   0.02   0.05    -0.11  -0.01   0.03    -0.10  -0.04  -0.13
    18   1     0.04   0.05   0.11    -0.04  -0.06  -0.10    -0.04  -0.11  -0.01
    19   1     0.01  -0.02  -0.08    -0.03   0.04   0.18     0.01  -0.02   0.17
    20   1     0.02  -0.02  -0.05    -0.06   0.16  -0.08    -0.08   0.17  -0.06
    21   1    -0.02   0.00  -0.03    -0.05  -0.16  -0.01    -0.02  -0.04  -0.03
    22   1     0.04  -0.13   0.04    -0.10  -0.13   0.06    -0.10   0.04   0.00
    23   1     0.24   0.02  -0.02    -0.24  -0.01  -0.06     0.10  -0.01   0.08
    24   1     0.55   0.04   0.06    -0.17  -0.02  -0.02     0.00   0.02   0.01
    25   1    -0.09   0.06  -0.03     0.03  -0.05   0.03    -0.01   0.05  -0.03
    26   1     0.24   0.12  -0.22    -0.15  -0.08   0.14     0.13   0.06  -0.12
    27   1    -0.08  -0.05  -0.06     0.02   0.03   0.05     0.00  -0.02  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1246.9559              1263.0307              1280.1866
 Red. masses --      1.6031                 1.4515                 1.8590
 Frc consts  --      1.4686                 1.3642                 1.7950
 IR Inten    --     13.5092                 4.4036                 6.8116
 RamAct Fr= 1--     47.1326                42.0583                11.6239
  Dep-P Fr= 1--      0.3261                 0.3420                 0.4062
  Dep-U Fr= 1--      0.4918                 0.5097                 0.5778
 Alpha2 Fr= 1--      0.4464                 0.3789                 0.0842
 Beta2  Fr= 1--      3.8635                 3.5728                 1.1193
 AlphaG Fr= 1--     -0.0624                 0.1931                 0.2329
 Gamma2 Fr= 1--     -1.3026                 1.6051                 5.4842
 Delta2 Fr= 1--     -3.9077                 2.3222                 2.2150
 Raman1 Fr= 1--     188.531                168.233                 46.496
 ROA1   Fr= 1--    -250.097                228.399                597.362
 CID1   Fr= 1--      -1.327                  1.358                 12.848
 Raman2 Fr= 1--      46.362                 42.874                 13.432
 ROA2   Fr= 1--      -0.001                 19.945                113.901
 CID2   Fr= 1--      -0.000                  0.465                  8.480
 Raman3 Fr= 1--      92.723                 85.748                 26.864
 ROA3   Fr= 1--    -250.097                228.399                597.362
 CID3   Fr= 1--      -2.697                  2.664                 22.237
 RC180  Fr= 1--      -0.016                  0.019                  0.156
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.01  -0.00  -0.01     0.00  -0.06  -0.03
     2   6    -0.00   0.15   0.06    -0.04   0.00   0.04     0.01   0.16   0.13
     3   6     0.02  -0.04  -0.05     0.01  -0.02  -0.02     0.02   0.02   0.03
     4   6     0.02   0.01   0.02    -0.05   0.00  -0.01     0.02   0.01  -0.01
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     6   6    -0.03  -0.01  -0.00     0.06   0.01  -0.00    -0.03  -0.01   0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01   0.00   0.00
     8   6    -0.00  -0.05  -0.03     0.02  -0.00  -0.01    -0.01  -0.05  -0.05
     9   6     0.00   0.06   0.04     0.04  -0.02  -0.07    -0.01  -0.13  -0.05
    10   6    -0.08  -0.04  -0.02    -0.12  -0.02   0.08     0.02   0.02  -0.04
    11   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.01   0.00   0.00
    12   1     0.09  -0.53  -0.12    -0.14   0.34   0.11    -0.12   0.25   0.07
    13   1    -0.05  -0.14  -0.07     0.16   0.01   0.05    -0.08   0.52   0.13
    14   1    -0.09   0.28   0.03     0.33   0.07   0.03    -0.08  -0.43  -0.10
    15   1    -0.09  -0.00   0.01     0.66   0.02  -0.11     0.11   0.05  -0.04
    16   1     0.58   0.01  -0.06     0.34   0.18  -0.08    -0.28  -0.13   0.08
    17   1     0.01   0.04   0.16    -0.04  -0.01  -0.00     0.02   0.03   0.10
    18   1     0.01   0.10  -0.16    -0.02  -0.01  -0.06     0.02   0.11  -0.13
    19   1    -0.08   0.09  -0.14    -0.01   0.02   0.02    -0.08   0.08  -0.15
    20   1     0.01  -0.10   0.17    -0.04   0.06   0.02    -0.02  -0.07   0.17
    21   1     0.07  -0.06   0.13     0.01  -0.05   0.04     0.10  -0.01   0.16
    22   1    -0.02   0.11  -0.04    -0.05   0.04  -0.01    -0.00   0.16  -0.06
    23   1    -0.04  -0.02   0.02     0.16   0.02  -0.01    -0.16  -0.05  -0.02
    24   1    -0.07   0.02  -0.00     0.11   0.02  -0.00    -0.15  -0.03  -0.00
    25   1    -0.00   0.01  -0.01    -0.00  -0.03   0.02     0.00   0.02  -0.01
    26   1     0.03   0.01  -0.03    -0.07  -0.03   0.06     0.03   0.02  -0.03
    27   1     0.01  -0.00  -0.02    -0.01   0.01   0.04     0.01  -0.01  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.3859              1316.9764              1338.6069
 Red. masses --      1.4622                 1.7636                 1.4606
 Frc consts  --      1.4456                 1.8023                 1.5420
 IR Inten    --     33.2296                15.7749                 0.0446
 RamAct Fr= 1--      8.6087                 4.6468                34.3589
  Dep-P Fr= 1--      0.4031                 0.3372                 0.2923
  Dep-U Fr= 1--      0.5745                 0.5044                 0.4523
 Alpha2 Fr= 1--      0.0631                 0.0425                 0.3606
 Beta2  Fr= 1--      0.8243                 0.3906                 2.5904
 AlphaG Fr= 1--      0.0748                -0.0734                 0.1045
 Gamma2 Fr= 1--     -2.3375                 1.3124                 0.3024
 Delta2 Fr= 1--     -2.5722                 1.0465                 0.7538
 Raman1 Fr= 1--      34.435                 18.587                137.435
 ROA1   Fr= 1--    -306.709                159.477                 53.153
 CID1   Fr= 1--      -8.907                  8.580                  0.387
 Raman2 Fr= 1--       9.892                  4.687                 31.084
 ROA2   Fr= 1--     -35.522                 23.125                  1.228
 CID2   Fr= 1--      -3.591                  4.934                  0.040
 Raman3 Fr= 1--      19.784                  9.375                 62.169
 ROA3   Fr= 1--    -306.709                159.477                 53.153
 CID3   Fr= 1--     -15.503                 17.011                  0.855
 RC180  Fr= 1--       0.149                  0.009                 -0.095
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.01   0.04  -0.03     0.00  -0.01   0.01
     2   6    -0.02  -0.06  -0.02     0.03  -0.11   0.18    -0.02   0.02  -0.04
     3   6     0.04   0.03   0.08     0.00   0.07  -0.03     0.04  -0.00   0.01
     4   6     0.06   0.01  -0.02    -0.04  -0.00  -0.01     0.02   0.05  -0.12
     5   6     0.05   0.01  -0.00    -0.04  -0.01   0.03    -0.01  -0.05   0.13
     6   6    -0.09  -0.01   0.00     0.05   0.01  -0.00    -0.04  -0.01  -0.00
     7   8     0.01   0.00   0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01    -0.00   0.02  -0.05     0.00  -0.00   0.01
     9   6     0.01   0.06   0.00    -0.01   0.06  -0.01     0.00  -0.01   0.01
    10   6    -0.08  -0.01  -0.03    -0.00  -0.01  -0.03    -0.01  -0.00  -0.00
    11   6     0.02  -0.00   0.01    -0.00   0.00  -0.01     0.02   0.00   0.01
    12   1     0.00  -0.16  -0.03     0.01  -0.51  -0.13     0.00   0.07   0.02
    13   1     0.05  -0.18  -0.05     0.06   0.06   0.05    -0.03  -0.02  -0.02
    14   1    -0.25  -0.39  -0.06     0.12  -0.48  -0.17    -0.12   0.06   0.01
    15   1     0.49   0.18  -0.06    -0.06   0.06   0.02     0.03   0.02  -0.00
    16   1     0.09  -0.06   0.00     0.02  -0.04  -0.00     0.01  -0.00  -0.01
    17   1    -0.05  -0.02  -0.05    -0.03  -0.08  -0.24     0.02   0.01   0.03
    18   1    -0.02  -0.07   0.02    -0.08  -0.09  -0.08     0.00   0.04  -0.02
    19   1     0.02  -0.02   0.06     0.08  -0.06  -0.07    -0.01   0.01   0.02
    20   1     0.00   0.03  -0.04    -0.07   0.08   0.05     0.02  -0.02  -0.01
    21   1    -0.03  -0.01  -0.03     0.05   0.07   0.03    -0.02  -0.03  -0.02
    22   1    -0.01  -0.04   0.01    -0.05   0.18  -0.05    -0.00  -0.04   0.02
    23   1    -0.48  -0.10  -0.02     0.42   0.04  -0.03     0.66   0.16  -0.13
    24   1    -0.31  -0.07  -0.02     0.10  -0.02   0.02    -0.64  -0.15   0.11
    25   1     0.02   0.06  -0.04    -0.02  -0.04   0.02    -0.02   0.03  -0.02
    26   1     0.08   0.05  -0.09    -0.05  -0.02   0.05     0.03   0.01  -0.01
    27   1     0.03  -0.02  -0.06    -0.03   0.01   0.04    -0.01  -0.02  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1381.8526              1398.8494              1406.0830
 Red. masses --      1.2815                 1.5329                 1.3440
 Frc consts  --      1.4418                 1.7673                 1.5656
 IR Inten    --     15.9120                65.5414                18.5826
 RamAct Fr= 1--      1.6704                14.0165                 2.0725
  Dep-P Fr= 1--      0.6870                 0.1931                 0.1424
  Dep-U Fr= 1--      0.8145                 0.3236                 0.2492
 Alpha2 Fr= 1--      0.0018                 0.1939                 0.0327
 Beta2  Fr= 1--      0.2268                 0.7560                 0.0861
 AlphaG Fr= 1--      0.0019                 0.0609                -0.0498
 Gamma2 Fr= 1--     -0.7263                 0.4655                 0.0048
 Delta2 Fr= 1--     -0.5368                -0.0521                 0.0123
 Raman1 Fr= 1--       6.682                 56.066                  8.290
 ROA1   Fr= 1--     -86.906                 43.020                  0.854
 CID1   Fr= 1--     -13.007                  0.767                  0.103
 Raman2 Fr= 1--       2.721                  9.072                  1.033
 ROA2   Fr= 1--     -13.137                 11.588                  0.017
 CID2   Fr= 1--      -4.828                  1.277                  0.016
 Raman3 Fr= 1--       5.442                 18.144                  2.066
 ROA3   Fr= 1--     -86.906                 43.020                  0.854
 CID3   Fr= 1--     -15.969                  2.371                  0.413
 RC180  Fr= 1--       0.629                 -0.353                 -0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.00   0.01   0.03     0.01   0.00   0.08
     2   6     0.01  -0.01   0.02     0.01  -0.02   0.03    -0.01   0.03  -0.05
     3   6    -0.06  -0.01  -0.01    -0.13  -0.02  -0.01     0.05   0.00   0.01
     4   6     0.00   0.00  -0.01     0.05   0.01  -0.02    -0.01  -0.00   0.01
     5   6     0.03   0.01   0.00     0.09   0.01   0.00    -0.03  -0.00  -0.00
     6   6     0.02   0.01  -0.01    -0.09  -0.02  -0.00     0.02   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.03   0.01     0.02  -0.11   0.06
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6     0.01   0.00   0.01     0.02   0.01   0.02    -0.01   0.00  -0.01
    11   6    -0.10  -0.04   0.08     0.07   0.02  -0.03    -0.02  -0.00   0.01
    12   1     0.02  -0.01  -0.02     0.05   0.00  -0.03    -0.01   0.05   0.02
    13   1     0.04   0.01   0.03     0.08   0.01   0.06    -0.04  -0.03  -0.04
    14   1     0.32   0.04   0.03     0.63   0.10   0.06    -0.25   0.00  -0.00
    15   1    -0.07  -0.02   0.02    -0.11  -0.03   0.03     0.05  -0.01  -0.03
    16   1     0.00   0.03  -0.01     0.00   0.06  -0.02     0.01  -0.05   0.03
    17   1     0.01  -0.02  -0.05     0.02  -0.08  -0.16    -0.01  -0.16  -0.23
    18   1    -0.03  -0.01  -0.03    -0.09  -0.02  -0.14    -0.13   0.04  -0.27
    19   1     0.03  -0.02  -0.05     0.07  -0.02  -0.17     0.04   0.07  -0.29
    20   1    -0.02   0.03  -0.00    -0.11   0.13  -0.06    -0.25   0.30  -0.24
    21   1     0.02   0.03   0.00     0.05   0.15  -0.06     0.07   0.35  -0.30
    22   1     0.00   0.03  -0.01    -0.01   0.15  -0.01    -0.07   0.42  -0.00
    23   1    -0.04   0.00  -0.01    -0.22  -0.02  -0.02     0.03   0.01   0.01
    24   1    -0.16  -0.02  -0.01    -0.36  -0.06  -0.01     0.12   0.02   0.00
    25   1     0.37   0.38  -0.17    -0.20  -0.14   0.05     0.04   0.02  -0.01
    26   1     0.20   0.16  -0.36    -0.06  -0.06   0.15     0.01   0.01  -0.03
    27   1     0.45  -0.07  -0.32    -0.22   0.01   0.10     0.05  -0.00  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.5777              1464.8602              1474.3214
 Red. masses --      1.2288                 1.0592                 1.0480
 Frc consts  --      1.4652                 1.3391                 1.3421
 IR Inten    --      3.5633                15.0211                 9.1616
 RamAct Fr= 1--      2.8359                 9.0177                 5.6162
  Dep-P Fr= 1--      0.5503                 0.3245                 0.7488
  Dep-U Fr= 1--      0.7099                 0.4900                 0.8564
 Alpha2 Fr= 1--      0.0108                 0.0858                 0.0001
 Beta2  Fr= 1--      0.3355                 0.7364                 0.8016
 AlphaG Fr= 1--     -0.0091                 0.0247                 0.0016
 Gamma2 Fr= 1--     -0.0937                 0.4830                 0.0924
 Delta2 Fr= 1--      0.0168                 0.1886                 0.0900
 Raman1 Fr= 1--      11.344                 36.071                 22.465
 ROA1   Fr= 1--      -8.453                 52.398                 11.753
 CID1   Fr= 1--      -0.745                  1.453                  0.523
 Raman2 Fr= 1--       4.027                  8.837                  9.619
 ROA2   Fr= 1--      -2.382                 10.082                  1.497
 CID2   Fr= 1--      -0.592                  1.141                  0.156
 Raman3 Fr= 1--       8.053                 17.674                 19.238
 ROA3   Fr= 1--      -8.453                 52.398                 11.753
 CID3   Fr= 1--      -1.050                  2.965                  0.611
 RC180  Fr= 1--       0.420                 -0.020                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.11    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.01     0.01   0.00  -0.01     0.00  -0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.02     0.00  -0.02  -0.01
     7   8     0.00  -0.00   0.00     0.00   0.01  -0.02    -0.00   0.00   0.00
     8   6     0.02  -0.07   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00   0.00    -0.05   0.00  -0.03     0.01  -0.05  -0.02
    12   1     0.06  -0.04  -0.04     0.01   0.00  -0.00     0.00   0.00  -0.00
    13   1     0.05  -0.03   0.04     0.01  -0.00   0.01     0.00   0.00   0.00
    14   1     0.07  -0.04  -0.00     0.02   0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.03   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.03  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.01   0.23   0.38     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.23   0.02   0.40    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.14  -0.04   0.45     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.21   0.24  -0.12    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    21   1     0.09   0.28  -0.17     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.04   0.30  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.01  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01   0.00    -0.05  -0.01   0.01     0.00  -0.01  -0.00
    25   1    -0.00   0.00  -0.00     0.28  -0.45   0.33    -0.47   0.02  -0.11
    26   1     0.00  -0.00   0.00     0.21   0.17  -0.37    -0.12   0.68   0.24
    27   1    -0.00  -0.00  -0.00     0.17   0.21   0.57     0.45   0.09   0.15
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.3164              1486.5986              1492.6731
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3867                 1.3620                 1.3982
 IR Inten    --      1.0288                 0.3068                 8.2866
 RamAct Fr= 1--      8.7508                 8.6927                11.9721
  Dep-P Fr= 1--      0.6639                 0.7130                 0.6820
  Dep-U Fr= 1--      0.7980                 0.8325                 0.8109
 Alpha2 Fr= 1--      0.0134                 0.0056                 0.0143
 Beta2  Fr= 1--      1.1638                 1.2061                 1.6181
 AlphaG Fr= 1--      0.0100                 0.0072                -0.0571
 Gamma2 Fr= 1--      1.7576                -2.0070                -1.9007
 Delta2 Fr= 1--      0.0147                -0.7770                 0.6462
 Raman1 Fr= 1--      35.003                 34.771                 47.888
 ROA1   Fr= 1--     169.198               -217.533               -161.793
 CID1   Fr= 1--       4.834                 -6.256                 -3.379
 Raman2 Fr= 1--      13.966                 14.473                 19.417
 ROA2   Fr= 1--      42.064                -41.952                -50.787
 CID2   Fr= 1--       3.012                 -2.899                 -2.616
 Raman3 Fr= 1--      27.932                 28.945                 38.833
 ROA3   Fr= 1--     169.198               -217.533               -161.793
 CID3   Fr= 1--       6.058                 -7.515                 -4.166
 RC180  Fr= 1--       0.596                  0.665                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.04  -0.00  -0.00     0.00  -0.02  -0.00
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.01   0.00   0.03
     3   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.02   0.02    -0.04  -0.00   0.01     0.01   0.01   0.03
     9   6    -0.05   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00  -0.00
    10   6    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.01  -0.04   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1     0.36   0.08  -0.21     0.08   0.01  -0.04    -0.17  -0.07   0.09
    13   1     0.30  -0.03   0.29     0.06  -0.01   0.06    -0.14   0.04  -0.12
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.01     0.04  -0.02  -0.00
    15   1     0.03  -0.30  -0.21    -0.01  -0.08  -0.05    -0.03   0.30   0.21
    16   1     0.08  -0.26   0.22     0.03  -0.06   0.06    -0.09   0.26  -0.23
    17   1     0.15  -0.06  -0.14    -0.41  -0.08   0.01    -0.01  -0.07  -0.12
    18   1     0.11   0.28  -0.05     0.05  -0.14   0.20     0.11   0.18   0.03
    19   1    -0.13   0.10   0.13    -0.13   0.24  -0.17    -0.15   0.16   0.04
    20   1     0.17  -0.15  -0.10     0.03   0.04  -0.43     0.26  -0.22  -0.29
    21   1    -0.18  -0.18  -0.20     0.06  -0.12   0.31    -0.27  -0.28  -0.26
    22   1    -0.13   0.15   0.01     0.54   0.13  -0.08    -0.08   0.31  -0.00
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00    -0.01  -0.01   0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.00
    25   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.6894              1506.1397              1509.9659
 Red. masses --      1.1098                 1.0614                 1.0623
 Frc consts  --      1.4765                 1.4186                 1.4270
 IR Inten    --      3.0385                 7.3991                 5.0762
 RamAct Fr= 1--     12.8482                 4.4944                 2.4991
  Dep-P Fr= 1--      0.3954                 0.7398                 0.5717
  Dep-U Fr= 1--      0.5667                 0.8505                 0.7275
 Alpha2 Fr= 1--      0.0967                 0.0008                 0.0084
 Beta2  Fr= 1--      1.2135                 0.6371                 0.3030
 AlphaG Fr= 1--     -0.0062                -0.0044                 0.0064
 Gamma2 Fr= 1--     -0.4594                 0.7185                 0.0843
 Delta2 Fr= 1--     -0.6964                -1.1097                 0.3268
 Raman1 Fr= 1--      51.393                 17.978                  9.997
 ROA1   Fr= 1--     -66.387                 33.470                 18.553
 CID1   Fr= 1--      -1.292                  1.862                  1.856
 Raman2 Fr= 1--      14.562                  7.645                  3.636
 ROA2   Fr= 1--      -5.454                 26.122                 -0.591
 CID2   Fr= 1--      -0.375                  3.417                 -0.162
 Raman3 Fr= 1--      29.124                 15.289                  7.273
 ROA3   Fr= 1--     -66.387                 33.470                 18.553
 CID3   Fr= 1--      -2.279                  2.189                  2.551
 RC180  Fr= 1--       0.133                  0.701                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00    -0.00  -0.03   0.02    -0.04  -0.00  -0.00
     2   6    -0.02   0.04   0.00    -0.01  -0.03  -0.01    -0.03  -0.01   0.01
     3   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01  -0.00  -0.02    -0.02  -0.00   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.00    -0.00   0.02   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.37   0.11  -0.21     0.13   0.03  -0.07    -0.19  -0.06   0.11
    13   1     0.29  -0.03   0.30     0.11  -0.02   0.10    -0.15   0.03  -0.16
    14   1    -0.08   0.00  -0.00    -0.04   0.01  -0.00     0.01   0.00   0.00
    15   1    -0.01   0.30   0.20    -0.01   0.23   0.15     0.01  -0.12  -0.08
    16   1    -0.07   0.24  -0.23    -0.06   0.19  -0.17     0.04  -0.10   0.09
    17   1     0.15   0.12   0.15     0.15  -0.15  -0.30     0.50   0.10  -0.02
    18   1    -0.18  -0.21  -0.15     0.18   0.46  -0.06    -0.05   0.20  -0.25
    19   1     0.26  -0.30  -0.04    -0.25   0.24   0.16     0.13  -0.28   0.26
    20   1     0.05  -0.03  -0.15    -0.17   0.16   0.12     0.01   0.04  -0.33
    21   1    -0.03  -0.09   0.05     0.19   0.16   0.26     0.03  -0.10   0.21
    22   1     0.13   0.08  -0.02     0.17  -0.22  -0.01     0.37   0.12  -0.06
    23   1     0.00   0.00   0.01    -0.01  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1673.1414              1762.0774              3017.6675
 Red. masses --      6.5805                 8.5244                 1.0347
 Frc consts  --     10.8537                15.5942                 5.5513
 IR Inten    --    238.3854               113.5633                24.8922
 RamAct Fr= 1--    896.6067                28.2502               109.0177
  Dep-P Fr= 1--      0.2748                 0.7500                 0.0424
  Dep-U Fr= 1--      0.4311                 0.8571                 0.0813
 Alpha2 Fr= 1--      9.9037                 0.0000                 2.1927
 Beta2  Fr= 1--     64.4200                 4.0357                 1.4780
 AlphaG Fr= 1--     -1.9922                 0.0021                -0.3133
 Gamma2 Fr= 1--    -22.2471                 0.7121                -0.7517
 Delta2 Fr= 1--      4.1023                 0.3398                -1.6295
 Raman1 Fr= 1--    3586.427                113.001                436.071
 ROA1   Fr= 1--   -2004.445                 79.234               -124.304
 CID1   Fr= 1--      -0.559                  0.701                 -0.285
 Raman2 Fr= 1--     773.040                 48.428                 17.736
 ROA2   Fr= 1--    -566.748                 14.372                 -5.004
 CID2   Fr= 1--      -0.733                  0.297                 -0.282
 Raman3 Fr= 1--    1546.080                 96.856                 35.472
 ROA3   Fr= 1--   -2004.445                 79.234               -124.304
 CID3   Fr= 1--      -1.296                  0.818                 -3.504
 RC180  Fr= 1--      -0.138                  0.714                 -0.837
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.02   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.01     0.04   0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.43   0.12  -0.12    -0.21  -0.06   0.07    -0.00   0.00   0.00
     5   6    -0.40  -0.11   0.10     0.21   0.07  -0.11    -0.00  -0.00   0.00
     6   6     0.09  -0.07   0.24     0.02  -0.20   0.57     0.00  -0.00   0.00
     7   8    -0.03   0.05  -0.16    -0.03   0.12  -0.36    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.04  -0.01
     9   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.01  -0.04    -0.00  -0.00  -0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.01   0.01   0.00     0.00  -0.00   0.01    -0.02  -0.01   0.02
    14   1     0.23   0.04   0.01    -0.10  -0.01  -0.02     0.00   0.01  -0.05
    15   1     0.01   0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.04   0.04  -0.03    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.02  -0.09   0.04
    18   1    -0.01   0.00  -0.03     0.00  -0.00   0.00    -0.11   0.05   0.05
    19   1     0.01  -0.01   0.01     0.00  -0.00   0.00     0.09   0.08   0.02
    20   1     0.01   0.00  -0.01    -0.00   0.00   0.00    -0.45  -0.36  -0.09
    21   1    -0.01  -0.03   0.01     0.00   0.00   0.00     0.49  -0.23  -0.23
    22   1    -0.00   0.02  -0.00     0.00  -0.00  -0.00     0.06   0.07   0.50
    23   1    -0.49  -0.03  -0.13     0.24   0.00   0.10    -0.00  -0.00  -0.00
    24   1     0.34  -0.00   0.17    -0.39  -0.01  -0.15     0.00   0.00  -0.00
    25   1     0.03   0.08  -0.05     0.04   0.13  -0.10    -0.00   0.00   0.00
    26   1    -0.06  -0.04   0.09    -0.13  -0.09   0.18     0.00  -0.00   0.00
    27   1     0.04  -0.02  -0.09     0.07  -0.02  -0.16    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.5202              3029.5725              3045.8029
 Red. masses --      1.0355                 1.0378                 1.0808
 Frc consts  --      5.5959                 5.6123                 5.9072
 IR Inten    --     24.5093                 3.0158                12.6816
 RamAct Fr= 1--    184.3070               235.5739                39.2750
  Dep-P Fr= 1--      0.0340                 0.0216                 0.3999
  Dep-U Fr= 1--      0.0658                 0.0423                 0.5713
 Alpha2 Fr= 1--      3.7811                 4.9768                 0.2911
 Beta2  Fr= 1--      2.0226                 1.6599                 3.7396
 AlphaG Fr= 1--     -0.4695                 0.5619                -0.0867
 Gamma2 Fr= 1--      2.8292                 0.7344                -4.1560
 Delta2 Fr= 1--      0.2222                -1.6776                -7.1912
 Raman1 Fr= 1--     737.228                942.296                157.100
 ROA1   Fr= 1--     278.713                 16.818               -629.098
 CID1   Fr= 1--       0.378                  0.018                 -4.004
 Raman2 Fr= 1--      24.272                 19.919                 44.875
 ROA2   Fr= 1--      66.122                 31.047                -42.215
 CID2   Fr= 1--       2.724                  1.559                 -0.941
 Raman3 Fr= 1--      48.543                 39.838                 89.749
 ROA3   Fr= 1--     278.713                 16.818               -629.098
 CID3   Fr= 1--       5.742                  0.422                 -7.010
 RC180  Fr= 1--      -0.868                 -0.915                  0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.05    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.02  -0.07
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.02   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00   0.00  -0.00    -0.02  -0.02   0.04    -0.00   0.00  -0.00
    12   1    -0.03   0.01  -0.05    -0.00   0.00  -0.00    -0.11   0.04  -0.22
    13   1    -0.04  -0.01   0.05    -0.00  -0.00   0.00    -0.15  -0.06   0.17
    14   1     0.00   0.02  -0.07     0.00   0.00  -0.00    -0.05  -0.25   0.88
    15   1     0.01  -0.02   0.04     0.00  -0.00   0.00    -0.04   0.08  -0.13
    16   1    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.09   0.44  -0.22    -0.00   0.01  -0.00    -0.01   0.02  -0.01
    18   1     0.51  -0.24  -0.23     0.01  -0.00  -0.00     0.02  -0.01  -0.01
    19   1    -0.43  -0.35  -0.11    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01
    20   1    -0.09  -0.07  -0.02    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
    21   1     0.09  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.03  -0.02
    22   1     0.01   0.01   0.11     0.00   0.00   0.00    -0.00  -0.00  -0.02
    23   1     0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00   0.01  -0.02
    25   1    -0.00   0.00   0.01     0.07  -0.37  -0.53    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.30  -0.02   0.21     0.00  -0.00   0.00
    27   1     0.00  -0.01   0.00    -0.11   0.62  -0.19     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.9667              3062.7875              3076.3744
 Red. masses --      1.0613                 1.0600                 1.1012
 Frc consts  --      5.8242                 5.8585                 6.1406
 IR Inten    --     47.2877                27.8421                15.1872
 RamAct Fr= 1--    236.1901               165.0643                65.4225
  Dep-P Fr= 1--      0.0868                 0.0745                 0.6542
  Dep-U Fr= 1--      0.1597                 0.1387                 0.7910
 Alpha2 Fr= 1--      4.2710                 3.0747                 0.1122
 Beta2  Fr= 1--      6.2852                 3.8144                 8.6246
 AlphaG Fr= 1--     -0.0753                 0.1812                 0.0091
 Gamma2 Fr= 1--      3.0734                 5.5358                 6.5203
 Delta2 Fr= 1--      1.4433                -9.7270                 2.6038
 Raman1 Fr= 1--     944.760                660.257                261.690
 ROA1   Fr= 1--     341.235                220.175                709.270
 CID1   Fr= 1--       0.361                  0.333                  2.710
 Raman2 Fr= 1--      75.423                 45.773                103.496
 ROA2   Fr= 1--      62.215                210.676                135.657
 CID2   Fr= 1--       0.825                  4.603                  1.311
 Raman3 Fr= 1--     150.845                 91.547                206.991
 ROA3   Fr= 1--     341.235                220.175                709.270
 CID3   Fr= 1--       2.262                  2.405                  3.427
 RC180  Fr= 1--      -0.681                 -0.723                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.00  -0.01  -0.00     0.02  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.09  -0.01   0.02
     9   6    -0.06  -0.00  -0.02     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00   0.01   0.01    -0.01   0.06  -0.02     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1     0.33  -0.12   0.61    -0.08   0.03  -0.15    -0.00   0.00  -0.01
    13   1     0.38   0.15  -0.43     0.00   0.00   0.00     0.02   0.01  -0.02
    14   1    -0.02  -0.09   0.31    -0.00  -0.02   0.07     0.00   0.01  -0.03
    15   1     0.00  -0.01   0.02     0.17  -0.38   0.66    -0.00   0.01  -0.01
    16   1    -0.00  -0.10  -0.12    -0.01  -0.35  -0.47     0.00   0.02   0.02
    17   1    -0.01   0.04  -0.02    -0.01   0.03  -0.02    -0.00   0.03  -0.02
    18   1     0.04  -0.02  -0.02    -0.06   0.02   0.03    -0.13   0.06   0.06
    19   1    -0.05  -0.04  -0.01     0.03   0.02   0.01    -0.11  -0.09  -0.03
    20   1    -0.05  -0.05  -0.01     0.01   0.01   0.00     0.50   0.43   0.11
    21   1     0.06  -0.03  -0.03     0.01  -0.00  -0.00     0.58  -0.29  -0.27
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.03  -0.01  -0.05
    23   1    -0.00   0.01  -0.02     0.00   0.01  -0.02     0.00  -0.00   0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3391              3085.2505              3087.8658
 Red. masses --      1.0984                 1.1017                 1.1013
 Frc consts  --      6.1447                 6.1789                 6.1872
 IR Inten    --      8.8081                23.9431                39.8047
 RamAct Fr= 1--     66.8196                54.7233               106.0190
  Dep-P Fr= 1--      0.7489                 0.7049                 0.7378
  Dep-U Fr= 1--      0.8564                 0.8269                 0.8491
 Alpha2 Fr= 1--      0.0012                 0.0429                 0.0220
 Beta2  Fr= 1--      9.5378                 7.5417                15.0039
 AlphaG Fr= 1--     -0.0206                -0.2572                 0.0188
 Gamma2 Fr= 1--      3.0800                17.0784                16.3874
 Delta2 Fr= 1--      3.8884                14.8994                 6.2977
 Raman1 Fr= 1--     267.278                218.893                424.076
 ROA1   Fr= 1--     420.110               2116.302               1774.715
 CID1   Fr= 1--       1.572                  9.668                  4.185
 Raman2 Fr= 1--     114.454                 90.501                180.046
 ROA2   Fr= 1--      42.812                290.686                342.916
 CID2   Fr= 1--       0.374                  3.212                  1.905
 Raman3 Fr= 1--     228.908                181.001                360.093
 ROA3   Fr= 1--     420.110               2116.302               1774.715
 CID3   Fr= 1--       1.835                 11.692                  4.928
 RC180  Fr= 1--       0.713                  0.654                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.09   0.01   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.04  -0.08    -0.02  -0.00   0.01
     9   6     0.00   0.00  -0.00    -0.01  -0.00   0.02     0.00   0.00  -0.01
    10   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    11   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.00   0.00    -0.05   0.02  -0.08     0.04  -0.01   0.06
    13   1    -0.00  -0.00   0.00     0.11   0.04  -0.12    -0.06  -0.02   0.06
    14   1     0.00   0.00  -0.00    -0.01  -0.02   0.07     0.00   0.00  -0.01
    15   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.05  -0.07
    17   1     0.00  -0.00   0.00     0.02  -0.08   0.04     0.03  -0.24   0.12
    18   1    -0.00   0.00   0.00     0.04  -0.02  -0.02     0.61  -0.29  -0.29
    19   1    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01     0.41   0.36   0.12
    20   1     0.00   0.00   0.00     0.30   0.25   0.04     0.11   0.09   0.02
    21   1     0.00  -0.00  -0.00    -0.26   0.12   0.10     0.14  -0.07  -0.06
    22   1    -0.00  -0.00  -0.01     0.11   0.09   0.82    -0.01  -0.00  -0.03
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.02    -0.00   0.01  -0.03
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.07   0.38   0.59    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1    -0.11   0.66  -0.22    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3094.3239              3095.4856              3114.5789
 Red. masses --      1.1064                 1.1019                 1.1077
 Frc consts  --      6.2413                 6.2208                 6.3310
 IR Inten    --     13.6079                39.4218                46.6982
 RamAct Fr= 1--    139.3544                35.2257               106.9687
  Dep-P Fr= 1--      0.5919                 0.3966                 0.5863
  Dep-U Fr= 1--      0.7437                 0.5680                 0.7392
 Alpha2 Fr= 1--      0.4100                 0.2641                 0.3271
 Beta2  Fr= 1--     17.2720                 3.3345                13.1787
 AlphaG Fr= 1--      0.0555                 0.6261                 0.0925
 Gamma2 Fr= 1--    -44.5625                28.2269                -5.7023
 Delta2 Fr= 1--    -25.5169                25.3381               -11.7725
 Raman1 Fr= 1--     557.418                140.903                427.875
 ROA1   Fr= 1--   -5094.541               3520.601               -924.144
 CID1   Fr= 1--      -9.140                 24.986                 -2.160
 Raman2 Fr= 1--     207.265                 40.014                158.144
 ROA2   Fr= 1--    -865.365                474.741                -42.676
 CID2   Fr= 1--      -4.175                 11.864                 -0.270
 Raman3 Fr= 1--     414.529                 80.028                316.288
 ROA3   Fr= 1--   -5094.541               3520.601               -924.144
 CID3   Fr= 1--     -12.290                 43.992                 -2.922
 RC180  Fr= 1--       0.487                  0.136                  0.478
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.01    -0.02  -0.08   0.01     0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.02  -0.07    -0.01  -0.01   0.03     0.00   0.01  -0.04
    10   6     0.00   0.01   0.03    -0.00  -0.01  -0.02    -0.01  -0.01  -0.08
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.24  -0.08   0.42    -0.09   0.03  -0.16     0.16  -0.05   0.28
    13   1    -0.41  -0.16   0.44     0.18   0.07  -0.20    -0.19  -0.07   0.20
    14   1     0.00   0.01  -0.04    -0.00  -0.01   0.04    -0.01  -0.03   0.11
    15   1    -0.03   0.08  -0.12     0.02  -0.05   0.07     0.13  -0.30   0.47
    16   1    -0.00  -0.20  -0.25     0.00   0.17   0.22     0.00   0.42   0.52
    17   1    -0.07   0.32  -0.17    -0.13   0.62  -0.32     0.02  -0.09   0.05
    18   1    -0.13   0.05   0.07    -0.06   0.01   0.03     0.02  -0.00  -0.01
    19   1     0.14   0.10   0.04     0.41   0.32   0.11    -0.04  -0.03  -0.01
    20   1     0.07   0.06   0.01     0.02   0.02   0.00     0.01   0.01   0.00
    21   1    -0.05   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.00   0.00
    22   1     0.02   0.02   0.18     0.00   0.00   0.01     0.01   0.00   0.06
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3143.8407              3145.4835              3150.5968
 Red. masses --      1.0910                 1.1000                 1.0863
 Frc consts  --      6.3533                 6.4126                 6.3529
 IR Inten    --      0.4467                13.4028                15.0975
 RamAct Fr= 1--     89.4100                94.7387                 8.3227
  Dep-P Fr= 1--      0.1773                 0.6881                 0.7095
  Dep-U Fr= 1--      0.3013                 0.8152                 0.8300
 Alpha2 Fr= 1--      1.2886                 0.1030                 0.0058
 Beta2  Fr= 1--      4.4892                12.8720                 1.1514
 AlphaG Fr= 1--      0.2079                -0.0993                 0.0338
 Gamma2 Fr= 1--     -6.2833                -1.1614                 2.4385
 Delta2 Fr= 1--     -4.9737                -1.8504                 1.1203
 Raman1 Fr= 1--     357.640                378.955                 33.291
 ROA1   Fr= 1--    -762.357               -170.702                269.946
 CID1   Fr= 1--      -2.132                 -0.450                  8.109
 Raman2 Fr= 1--      53.871                154.464                 13.816
 ROA2   Fr= 1--    -111.009                -13.070                 49.562
 CID2   Fr= 1--      -2.061                 -0.085                  3.587
 Raman3 Fr= 1--     107.742                308.928                 27.633
 ROA3   Fr= 1--    -762.357               -170.702                269.946
 CID3   Fr= 1--      -7.076                 -0.553                  9.769
 RC180  Fr= 1--      -0.397                  0.630                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.02  -0.06     0.00  -0.01   0.02    -0.01   0.02  -0.05
     5   6    -0.00  -0.02   0.05     0.00   0.00  -0.00    -0.00   0.02  -0.06
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.02   0.00  -0.01    -0.06   0.01  -0.06    -0.01   0.00  -0.01
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.01  -0.00   0.01
    14   1    -0.00  -0.01   0.03     0.00   0.01  -0.02     0.00  -0.02   0.06
    15   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.00  -0.01   0.02
    16   1     0.00   0.01   0.01    -0.00  -0.00  -0.01     0.00   0.01   0.01
    17   1     0.01  -0.03   0.01    -0.00   0.01  -0.01     0.01  -0.03   0.01
    18   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    23   1     0.04  -0.23   0.66    -0.02   0.09  -0.26     0.04  -0.21   0.61
    24   1    -0.01   0.22  -0.62     0.00  -0.02   0.05     0.01  -0.25   0.70
    25   1    -0.01   0.03   0.04    -0.04   0.14   0.19    -0.01   0.03   0.04
    26   1     0.19  -0.01   0.12     0.74  -0.04   0.49     0.11  -0.01   0.07
    27   1     0.01  -0.05   0.01     0.03  -0.23   0.06     0.01  -0.04   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   821.588273645.118703714.03991
           X            0.99986   0.00243  -0.01626
           Y           -0.00317   0.99895  -0.04580
           Z            0.01613   0.04585   0.99882
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10542     0.02376     0.02332
 Rotational constants (GHZ):           2.19665     0.49511     0.48592
 Zero-point vibrational energy     621694.5 (Joules/Mol)
                                  148.58856 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     46.20    91.33   113.17   166.20   192.95
          (Kelvin)            225.55   318.18   353.10   378.33   412.30
                              459.17   495.94   525.96   593.22   635.60
                              739.71   842.68   856.05   907.38  1049.83
                             1152.05  1228.23  1267.39  1301.71  1317.58
                             1367.47  1379.71  1392.47  1396.44  1445.41
                             1471.57  1482.52  1514.15  1578.94  1662.96
                             1702.85  1706.83  1751.08  1772.96  1794.09
                             1817.22  1841.90  1863.77  1894.84  1925.96
                             1988.18  2012.63  2023.04  2046.77  2107.61
                             2121.22  2134.16  2138.88  2147.62  2162.03
                             2167.00  2172.50  2407.28  2535.24  4341.75
                             4357.37  4358.88  4382.23  4391.10  4406.67
                             4426.22  4433.36  4438.99  4442.75  4452.04
                             4453.71  4481.18  4523.29  4525.65  4533.01
 
 Zero-point correction=                           0.236791 (Hartree/Particle)
 Thermal correction to Energy=                    0.249346
 Thermal correction to Enthalpy=                  0.250290
 Thermal correction to Gibbs Free Energy=         0.197559
 Sum of electronic and zero-point Energies=           -465.874862
 Sum of electronic and thermal Energies=              -465.862307
 Sum of electronic and thermal Enthalpies=            -465.861363
 Sum of electronic and thermal Free Energies=         -465.914094
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.467             46.457            110.982
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.787
 Vibrational            154.689             40.495             39.227
 Vibration     1          0.594              1.983              5.694
 Vibration     2          0.597              1.972              4.346
 Vibration     3          0.600              1.964              3.924
 Vibration     4          0.608              1.937              3.174
 Vibration     5          0.613              1.919              2.886
 Vibration     6          0.620              1.895              2.588
 Vibration     7          0.648              1.809              1.950
 Vibration     8          0.660              1.770              1.763
 Vibration     9          0.670              1.741              1.642
 Vibration    10          0.684              1.699              1.494
 Vibration    11          0.705              1.637              1.315
 Vibration    12          0.723              1.586              1.190
 Vibration    13          0.739              1.543              1.098
 Vibration    14          0.776              1.444              0.918
 Vibration    15          0.802              1.379              0.821
 Vibration    16          0.869              1.219              0.624
 Vibration    17          0.943              1.062              0.475
 Vibration    18          0.953              1.042              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.134727D-90        -90.870544       -209.237160
 Total V=0       0.111078D+19         18.045629         41.551596
 Vib (Bot)       0.153028-104       -104.815230       -241.345986
 Vib (Bot)    1  0.644648D+01          0.809323          1.863535
 Vib (Bot)    2  0.325172D+01          0.512113          1.179185
 Vib (Bot)    3  0.261872D+01          0.418089          0.962685
 Vib (Bot)    4  0.177089D+01          0.248191          0.571482
 Vib (Bot)    5  0.151855D+01          0.181428          0.417753
 Vib (Bot)    6  0.129086D+01          0.110880          0.255311
 Vib (Bot)    7  0.894019D+00         -0.048653         -0.112028
 Vib (Bot)    8  0.796983D+00         -0.098551         -0.226921
 Vib (Bot)    9  0.737573D+00         -0.132195         -0.304390
 Vib (Bot)   10  0.668573D+00         -0.174851         -0.402610
 Vib (Bot)   11  0.589331D+00         -0.229641         -0.528768
 Vib (Bot)   12  0.537080D+00         -0.269961         -0.621607
 Vib (Bot)   13  0.499530D+00         -0.301439         -0.694088
 Vib (Bot)   14  0.428356D+00         -0.368195         -0.847801
 Vib (Bot)   15  0.390773D+00         -0.408075         -0.939628
 Vib (Bot)   16  0.315645D+00         -0.500801         -1.153136
 Vib (Bot)   17  0.258691D+00         -0.587219         -1.352122
 Vib (Bot)   18  0.252257D+00         -0.598157         -1.377308
 Vib (V=0)       0.126166D+05          4.100943          9.442771
 Vib (V=0)    1  0.696585D+01          0.842974          1.941019
 Vib (V=0)    2  0.378994D+01          0.578632          1.332350
 Vib (V=0)    3  0.316602D+01          0.500514          1.152476
 Vib (V=0)    4  0.234012D+01          0.369239          0.850203
 Vib (V=0)    5  0.209874D+01          0.321959          0.741339
 Vib (V=0)    6  0.188431D+01          0.275153          0.633564
 Vib (V=0)    7  0.152434D+01          0.183082          0.421561
 Vib (V=0)    8  0.144084D+01          0.158616          0.365227
 Vib (V=0)    9  0.139107D+01          0.143350          0.330077
 Vib (V=0)   10  0.133486D+01          0.125435          0.288826
 Vib (V=0)   11  0.127286D+01          0.104780          0.241265
 Vib (V=0)   12  0.123380D+01          0.091243          0.210095
 Vib (V=0)   13  0.120677D+01          0.081626          0.187951
 Vib (V=0)   14  0.115840D+01          0.063858          0.147039
 Vib (V=0)   15  0.113459D+01          0.054839          0.126271
 Vib (V=0)   16  0.109130D+01          0.037943          0.087367
 Vib (V=0)   17  0.106296D+01          0.026516          0.061055
 Vib (V=0)   18  0.106003D+01          0.025318          0.058297
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119386D+07          6.076952         13.992699
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003486    0.000001958   -0.000016473
      2        6           0.000010401   -0.000007725    0.000028096
      3        6           0.000014260   -0.000035651    0.000017460
      4        6          -0.000017283    0.000008939    0.000004838
      5        6           0.000012087    0.000001995   -0.000005767
      6        6          -0.000006241    0.000000059   -0.000008061
      7        8           0.000000154    0.000000351    0.000005262
      8        6          -0.000000530    0.000016057   -0.000015160
      9        6           0.000005681   -0.000000596   -0.000016399
     10        6          -0.000001360    0.000035210   -0.000013940
     11        6          -0.000003918    0.000002344   -0.000001519
     12        1          -0.000004948   -0.000003735    0.000004686
     13        1           0.000005182   -0.000002791    0.000002496
     14        1          -0.000009704    0.000003417   -0.000004845
     15        1          -0.000007296   -0.000005340    0.000005557
     16        1           0.000005564   -0.000002597    0.000003092
     17        1           0.000000698    0.000000579    0.000001088
     18        1           0.000000703   -0.000000834   -0.000000093
     19        1          -0.000001718    0.000000763    0.000002089
     20        1          -0.000001668   -0.000006512   -0.000001153
     21        1           0.000002785   -0.000003516   -0.000000233
     22        1          -0.000001286   -0.000003034    0.000001345
     23        1           0.000001222    0.000003928   -0.000000631
     24        1           0.000000197   -0.000003374    0.000002626
     25        1           0.000000049    0.000000284    0.000003150
     26        1          -0.000000404    0.000001126   -0.000000041
     27        1           0.000000859   -0.000001304    0.000002529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035651 RMS     0.000008976
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.181785D+03  0.625564D+01 -0.261266D+01
      2   0.625564D+01  0.112423D+03 -0.305059D+01
      3  -0.261266D+01 -0.305059D+01  0.116685D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.476168D+01 -0.768327D+01 -0.798536D+01
      2   0.356336D+02 -0.124611D+02 -0.556938D+01
      3  -0.291511D+02  0.427358D+02  0.162964D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.102536D+03  0.299386D+02 -0.162509D+01
      2  -0.819380D+02 -0.116805D+01  0.261931D+01
      3  -0.205985D+02 -0.287706D+02 -0.994219D+00
      4   0.391462D+02 -0.101847D+03 -0.362352D+02
      5  -0.290112D+02 -0.357734D+02 -0.994768D+01
      6  -0.171619D+02 -0.302975D+02  0.117120D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.442254D+01 -0.460376D+01 -0.468776D+01 -0.511383D+01 -0.174238D+01
      2  -0.460376D+01 -0.188369D+01  0.808771D+00 -0.174238D+01  0.162989D+01
      3  -0.468776D+01  0.808771D+00  0.154943D+01  0.119344D+01 -0.430628D+01
                 6             7             8             9            10 
      1   0.119344D+01 -0.316109D+01  0.122702D+01  0.161204D+01 -0.298043D+02
      2  -0.430628D+01  0.122702D+01 -0.329560D+01  0.485120D+00  0.757150D+01
      3   0.115484D+01  0.161204D+01  0.485120D+00  0.350713D+01  0.383115D+01
                11            12            13            14            15 
      1   0.757150D+01  0.383115D+01  0.132045D+02 -0.831509D+00 -0.167086D+01
      2   0.144395D+01 -0.667763D+00 -0.831509D+00  0.765052D+00  0.327378D+01
      3  -0.667763D+00 -0.197052D+01 -0.167086D+01  0.327378D+01 -0.228209D+00
                16            17            18            19            20 
      1   0.178752D+02 -0.216319D+01 -0.280324D+01  0.582350D+02  0.526464D-01
      2  -0.216319D+01  0.470178D+01  0.596507D+00  0.526464D-01  0.533323D+01
      3  -0.280324D+01  0.596507D+00 -0.532101D+01 -0.429170D-01  0.144773D+01
                21            22            23            24            25 
      1  -0.429170D-01 -0.570213D+01  0.994371D+01  0.336619D+01 -0.600097D+01
      2   0.144773D+01  0.994371D+01  0.113580D+01 -0.566610D+00  0.250912D+01
      3   0.746664D+00  0.336619D+01 -0.566610D+00 -0.313634D+01  0.863864D+00
                26            27            28            29            30 
      1   0.250912D+01  0.863864D+00 -0.713456D+02 -0.360837D+01 -0.727858D+00
      2  -0.153207D+01 -0.257494D+01 -0.360837D+01 -0.392841D+01 -0.931066D+00
      3  -0.257494D+01  0.509367D+01 -0.727858D+00 -0.931066D+00 -0.168897D+01
                31            32            33            34            35 
      1  -0.125097D+02 -0.610734D+01 -0.195812D+01  0.952646D+01 -0.258892D+00
      2  -0.610734D+01 -0.324478D+01 -0.524684D+00 -0.258892D+00  0.104663D+01
      3  -0.195812D+01 -0.524684D+00  0.149667D+01 -0.226952D+01  0.186832D+01
                36            37            38            39            40 
      1  -0.226952D+01  0.616723D+02  0.319857D+01  0.329457D+01  0.141987D+02
      2   0.186832D+01  0.319857D+01  0.204359D+01  0.883151D+00  0.470743D+01
      3  -0.335933D+01  0.329457D+01  0.883151D+00  0.137045D+01  0.125731D+01
                41            42            43            44            45 
      1   0.470743D+01  0.125731D+01 -0.134846D+02 -0.814208D+00  0.417315D+01
      2   0.267335D+01 -0.550453D+00 -0.814208D+00 -0.207433D+01 -0.205351D+01
      3  -0.550453D+00 -0.200643D+01  0.417315D+01 -0.205351D+01  0.255258D+01
                46            47            48            49            50 
      1  -0.190115D+02 -0.108348D+01 -0.239289D+01  0.692815D+01  0.765656D+00
      2  -0.108348D+01  0.122740D+01  0.531216D+00  0.765656D+00  0.659913D+00
      3  -0.239289D+01  0.531216D+00  0.273930D+00  0.388187D+01 -0.857911D+00
                51            52            53            54            55 
      1   0.388187D+01 -0.290107D+02  0.166074D+01 -0.990005D+01  0.533211D+01
      2  -0.857911D+00  0.166074D+01  0.620959D+00  0.102656D+01 -0.700790D+00
      3   0.167156D+01 -0.990005D+01  0.102656D+01 -0.606549D+01  0.253444D+01
                56            57            58            59            60 
      1  -0.700790D+00  0.253444D+01 -0.103390D+02  0.210069D+01 -0.349874D+01
      2   0.219258D+00 -0.638807D+00  0.210069D+01 -0.199055D+01  0.302021D+01
      3  -0.638807D+00  0.123037D+01 -0.349874D+01  0.302021D+01 -0.165400D+01
                61            62            63            64            65 
      1   0.298259D+02 -0.801825D+00  0.112722D+02  0.950743D+01 -0.626879D+01
      2  -0.801825D+00  0.108205D+01 -0.138375D+01 -0.626879D+01 -0.155051D+01
      3   0.112722D+02 -0.138375D+01  0.110862D+02 -0.186833D+01  0.108659D+01
                66            67            68            69            70 
      1  -0.186833D+01 -0.612733D+01 -0.988899D+00  0.130323D+01 -0.675603D+01
      2   0.108659D+01 -0.988899D+00 -0.835745D+00 -0.273831D+01  0.179633D+01
      3   0.133039D+01  0.130323D+01 -0.273831D+01  0.143505D+01  0.179526D+01
                71            72            73            74            75 
      1   0.179633D+01  0.179526D+01  0.873512D+00  0.112585D+01 -0.127892D+01
      2  -0.354138D+01 -0.130181D+00  0.112585D+01 -0.465911D+01 -0.207339D+01
      3  -0.130181D+00  0.697180D+01 -0.127892D+01 -0.207339D+01  0.308693D+01
                76            77            78            79            80 
      1   0.169669D+01 -0.468461D+01 -0.294915D+01 -0.243633D+01 -0.273655D+01
      2  -0.468461D+01 -0.308580D+01 -0.124213D+01 -0.273655D+01 -0.165658D+01
      3  -0.294915D+01 -0.124213D+01 -0.806812D+00  0.514424D+01 -0.107957D+00
                81            82            83            84            85 
      1   0.514424D+01 -0.119147D+02 -0.783347D+01 -0.152180D+01 -0.933742D+01
      2  -0.107957D+00 -0.783347D+01 -0.213105D+01  0.947452D+00 -0.459916D+01
      3   0.233538D+01 -0.152180D+01  0.947452D+00 -0.548703D+00  0.538248D+00
                86            87            88            89            90 
      1  -0.459916D+01  0.538248D+00  0.743351D+01  0.242703D+01 -0.429404D-01
      2   0.202272D+01  0.138815D+01  0.242703D+01  0.288637D+01  0.513397D+01
      3   0.138815D+01  0.354347D+01 -0.429404D-01  0.513397D+01 -0.391223D+00
                91            92            93            94            95 
      1  -0.154724D+01  0.177328D+01 -0.525351D+01  0.299766D+01 -0.481465D+00
      2   0.177328D+01  0.124777D+01 -0.123098D+01 -0.481465D+00 -0.447570D+01
      3  -0.525351D+01 -0.123098D+01 -0.893280D+00 -0.106865D+01  0.354163D+01
                96            97            98            99           100 
      1  -0.106865D+01 -0.829586D+01 -0.103533D+01 -0.368938D+01 -0.479284D+01
      2   0.354163D+01 -0.103533D+01  0.291337D+01  0.110530D+01 -0.259605D+00
      3   0.170416D+01 -0.368938D+01  0.110530D+01  0.437818D+01 -0.258554D+01
               101           102           103           104           105 
      1  -0.259605D+00 -0.258554D+01  0.791382D+00 -0.554069D+00  0.777601D+00
      2  -0.422871D+00  0.108499D+00 -0.554069D+00  0.408865D+00 -0.593878D+00
      3   0.108499D+00 -0.247159D+01  0.777601D+00 -0.593878D+00  0.764693D+00
               106           107           108           109           110 
      1  -0.441610D+01  0.225923D+00 -0.429848D+01 -0.782052D+01 -0.206205D+01
      2   0.225923D+00 -0.138797D+01 -0.151105D+00 -0.206205D+01 -0.103786D+01
      3  -0.429848D+01 -0.151105D+00 -0.527762D+01  0.262120D+01  0.816221D+00
               111           112           113           114           115 
      1   0.262120D+01 -0.158283D+01 -0.149031D+01  0.902886D+00  0.571482D+01
      2   0.816221D+00 -0.149031D+01 -0.108690D+01  0.804406D+00  0.165229D+01
      3  -0.210962D+01  0.902886D+00  0.804406D+00 -0.548491D+00 -0.372905D+01
               116           117           118           119           120 
      1   0.165229D+01 -0.372905D+01  0.960088D-01  0.454428D+00 -0.843986D+00
      2   0.160999D+01 -0.922183D+00  0.454428D+00 -0.266131D+00 -0.229142D+00
      3  -0.922183D+00  0.267091D+01 -0.843986D+00 -0.229142D+00  0.311079D+00
               121           122           123           124           125 
      1   0.177647D+01 -0.595776D+00 -0.759095D-01 -0.100885D+01 -0.133255D-01
      2  -0.595776D+00  0.540622D+00 -0.985476D+00 -0.133255D-01 -0.145171D+01
      3  -0.759095D-01 -0.985476D+00  0.150260D+01 -0.233433D+00  0.957909D+00
               126           127           128           129           130 
      1  -0.233433D+00  0.925207D+00 -0.102192D+00  0.623472D+00  0.532656D+00
      2   0.957909D+00 -0.102192D+00  0.124261D+01 -0.559016D+00  0.355020D+00
      3  -0.697334D+01  0.623472D+00 -0.559016D+00  0.624611D+00 -0.264268D+00
               131           132           133           134           135 
      1   0.355020D+00 -0.264268D+00  0.111947D+01 -0.263850D+00  0.118782D+00
      2  -0.423458D+01  0.180736D+01 -0.263850D+00  0.357772D+01 -0.284284D+01
      3   0.180736D+01 -0.190966D+01  0.118782D+00 -0.284284D+01  0.345810D+01
               136           137           138           139           140 
      1   0.185636D+01 -0.319755D+00 -0.506320D+00  0.161705D+01 -0.877467D+00
      2  -0.319755D+00  0.336489D+00 -0.920525D-02 -0.877467D+00 -0.679982D+01
      3  -0.506320D+00 -0.920525D-02  0.121459D+00 -0.485795D+00 -0.334101D+01
               141           142           143           144           145 
      1  -0.485795D+00 -0.290378D+01 -0.144756D+01 -0.851107D+00  0.339482D+00
      2  -0.334101D+01 -0.144756D+01 -0.573992D+01 -0.452038D+01 -0.336354D+00
      3  -0.257852D+01 -0.851107D+00 -0.452038D+01 -0.414681D+01  0.966914D+00
               146           147           148           149           150 
      1  -0.336354D+00  0.966914D+00 -0.480703D+00  0.626835D+00 -0.108326D+00
      2   0.661309D+00 -0.318725D+00  0.626835D+00 -0.425817D+01  0.250833D+01
      3  -0.318725D+00  0.430950D+00 -0.108326D+00  0.250833D+01 -0.356057D+01
               151           152           153           154           155 
      1   0.691661D+00 -0.250218D+00  0.486427D-01 -0.695900D+01  0.263139D+01
      2  -0.250218D+00  0.203412D+01 -0.189276D+01  0.263139D+01 -0.169044D+01
      3   0.486427D-01 -0.189276D+01  0.280386D+01  0.403106D+01 -0.153233D+01
               156           157           158           159           160 
      1   0.403106D+01  0.195637D+01 -0.155650D+01 -0.138046D+01  0.150108D+01
      2  -0.153233D+01 -0.155650D+01  0.161478D+01  0.174843D+01 -0.982490D+00
      3  -0.375720D+01 -0.138046D+01  0.174843D+01  0.157585D+01 -0.242377D+01
               161           162           163           164           165 
      1  -0.982490D+00 -0.242377D+01  0.339517D+01  0.200261D+01  0.135093D+01
      2   0.974399D+00  0.110197D+01  0.200261D+01  0.244225D+01  0.125938D+01
      3   0.110197D+01  0.268838D+01  0.135093D+01  0.125938D+01  0.209165D+01
               166           167           168           169           170 
      1   0.155572D+01  0.164182D+01  0.654940D+00  0.244581D+00  0.475665D+00
      2   0.164182D+01  0.301285D+01  0.196548D+01  0.475665D+00  0.960512D+00
      3   0.654940D+00  0.196548D+01  0.182575D+01  0.763367D+00  0.907106D+00
               171           172           173           174           175 
      1   0.763367D+00  0.215669D+01  0.232825D+01  0.396467D+00  0.175251D+01
      2   0.907106D+00  0.232825D+01  0.448347D+01 -0.172124D+00  0.172297D+01
      3   0.127524D+01  0.396467D+00 -0.172124D+00  0.844420D+00  0.383710D-01
               176           177           178           179           180 
      1   0.172297D+01  0.383710D-01  0.766581D+00 -0.463533D-01  0.233798D+00
      2   0.559598D+01  0.188526D+00 -0.463533D-01  0.123876D+01  0.847553D+00
      3   0.188526D+00  0.650698D+00  0.233798D+00  0.847553D+00 -0.265211D+00
               181           182           183           184           185 
      1  -0.825986D+01  0.498355D+01  0.118114D+01  0.162132D+01 -0.281836D+01
      2   0.498355D+01 -0.355477D+01 -0.555122D+00 -0.281836D+01  0.325710D+01
      3   0.118114D+01 -0.555122D+00 -0.142881D+01 -0.711683D+00  0.684081D+00
               186           187           188           189           190 
      1  -0.711683D+00  0.379618D+01 -0.184635D+01 -0.150993D+01 -0.142766D+01
      2   0.684081D+00 -0.184635D+01  0.220055D+01  0.954716D+00  0.847416D+00
      3   0.446106D+00 -0.150993D+01  0.954716D+00  0.542218D+00 -0.976234D+00
               191           192           193           194           195 
      1   0.847416D+00 -0.976234D+00  0.333520D+00  0.657385D-02 -0.168120D+00
      2  -0.852515D-01  0.623837D-01  0.657385D-02 -0.698587D-01 -0.595116D+00
      3   0.623837D-01 -0.101217D+01 -0.168120D+00 -0.595116D+00 -0.604790D+00
               196           197           198           199           200 
      1  -0.128334D+01  0.455530D+00 -0.202416D+01 -0.151840D+01 -0.509412D+00
      2   0.455530D+00 -0.163542D+01  0.130356D+01 -0.509412D+00 -0.132254D-01
      3  -0.202416D+01  0.130356D+01 -0.841128D+01  0.839246D+00 -0.441655D-01
               201           202           203           204           205 
      1   0.839246D+00 -0.131904D+01  0.998842D+00  0.379072D+00  0.202400D+01
      2  -0.441655D-01  0.998842D+00 -0.819653D+00  0.123362D+01  0.603492D+00
      3  -0.441145D-01  0.379072D+00  0.123362D+01 -0.130730D+01 -0.460123D+00
               206           207           208           209           210 
      1   0.603492D+00 -0.460123D+00  0.150501D+01  0.683754D+00 -0.121786D+01
      2   0.132885D+01 -0.132027D+01  0.683754D+00  0.765931D-01 -0.709967D-01
      3  -0.132027D+01  0.479051D+01 -0.121786D+01 -0.709967D-01 -0.206557D+00
               211           212           213           214           215 
      1   0.951498D+00 -0.234690D+00 -0.714040D+00 -0.179196D+01 -0.522104D+00
      2  -0.234690D+00  0.632230D+00 -0.974866D+00 -0.522104D+00 -0.118684D+01
      3  -0.714040D+00 -0.974866D+00  0.190835D+01  0.828504D+00  0.180610D+01
               216           217           218           219           220 
      1   0.828504D+00  0.310518D+01 -0.731368D+00 -0.534333D+00 -0.252244D+01
      2   0.180610D+01 -0.731368D+00  0.213729D+00  0.490722D+00  0.122567D+01
      3  -0.639778D+01 -0.534333D+00  0.490722D+00  0.748570D+00  0.160941D+01
               221           222           223           224           225 
      1   0.122567D+01  0.160941D+01 -0.409200D+01  0.233241D+00  0.360481D+01
      2  -0.138562D+01 -0.223083D+01  0.233241D+00 -0.224262D+01 -0.171666D+01
      3  -0.223083D+01 -0.303428D+01  0.360481D+01 -0.171666D+01 -0.682804D+01
               226           227           228           229           230 
      1   0.962574D+01  0.236326D+00  0.229587D+01 -0.728242D+00  0.122137D+01
      2   0.236326D+00  0.100217D+01  0.150479D+00  0.122137D+01  0.359491D+00
      3   0.229587D+01  0.150479D+00  0.166173D+01  0.894248D-01  0.886720D-01
               231           232           233           234           235 
      1   0.894248D-01  0.547797D+01  0.422356D+00  0.226674D+01  0.135385D+01
      2   0.886720D-01  0.422356D+00  0.638060D+00 -0.274968D-01  0.529810D+00
      3  -0.267623D+00  0.226674D+01 -0.274968D-01  0.153325D+01  0.471791D+00
               236           237           238           239           240 
      1   0.529810D+00  0.471791D+00  0.384854D+01  0.224593D+01 -0.937865D+00
      2  -0.750501D+00  0.440228D+00  0.224593D+01  0.797853D+01 -0.274512D+01
      3   0.440228D+00 -0.291105D+00 -0.937865D+00 -0.274512D+01  0.196322D+01
               241           242           243 
      1  -0.135579D+01 -0.506483D+00  0.150981D+01
      2  -0.506483D+00 -0.206966D+01  0.154932D+01
      3   0.150981D+01  0.154932D+01 -0.225030D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.606606D+01 -0.486556D+01  0.970673D+00 -0.392397D+01  0.740191D+01
      2   0.830015D+01  0.858077D+01  0.941701D+01  0.654320D+01  0.134499D+02
      3  -0.899530D+01 -0.965726D+01 -0.206269D+01 -0.470765D+01  0.111259D+01
                 6             7             8             9            10 
      1  -0.139308D+02 -0.770530D+00 -0.647415D+01  0.598376D+00 -0.295667D+01
      2  -0.451049D+01  0.517753D+00 -0.220832D+01 -0.896699D+01 -0.254833D+02
      3  -0.721003D+01  0.271708D-01 -0.606888D+01  0.187326D+01  0.182999D+02
                11            12            13            14            15 
      1   0.276143D+01  0.108372D+01  0.460652D+01 -0.528497D+01 -0.364285D+01
      2   0.173122D+01  0.792698D+01  0.435917D+01 -0.111377D+02 -0.591497D+00
      3   0.556036D+01  0.254142D+01  0.164084D+02  0.670164D+01  0.755288D+01
                16            17            18            19            20 
      1   0.388117D+01  0.679629D+01  0.426044D+01  0.796721D-01 -0.181791D+01
      2   0.117638D+02 -0.150981D+01  0.121471D+02  0.333001D+02  0.108744D+01
      3  -0.571035D+01  0.878667D+01 -0.146455D+00 -0.259530D+02 -0.633727D+01
                21            22            23            24            25 
      1  -0.125512D+01 -0.888816D+01 -0.302684D+01 -0.283223D+01 -0.379653D+01
      2   0.275758D+01 -0.311418D+01  0.713927D+01  0.565354D+01 -0.173746D+02
      3  -0.768282D+00 -0.866986D+00 -0.878776D+01 -0.231310D+01  0.605750D-01
                26            27            28            29            30 
      1   0.219865D+01  0.513090D+01  0.376670D+01 -0.416454D-01  0.178275D+00
      2   0.361457D+01 -0.368284D+01 -0.404819D+02 -0.423659D+01 -0.493321D+01
      3  -0.385787D+01 -0.190472D+01  0.214998D+02  0.827085D+01  0.173770D+01
                31            32            33            34            35 
      1   0.483451D+01  0.260944D+01 -0.239585D+01  0.294523D+01  0.260402D-01
      2  -0.137315D+02 -0.373350D+01 -0.128288D+01 -0.154164D+02 -0.164998D+01
      3   0.379935D+02  0.741645D+01  0.634909D-01  0.279979D+01  0.105567D+01
                36            37            38            39            40 
      1  -0.437551D+01 -0.210184D+01 -0.131303D+01 -0.747662D+00 -0.897370D+01
      2  -0.122395D+01  0.450350D+02  0.317923D+01  0.136723D+02  0.154131D+02
      3  -0.132749D+00 -0.176713D+02 -0.123657D+02 -0.185737D+01 -0.104876D+02
                41            42            43            44            45 
      1  -0.494903D+00 -0.533677D+01  0.173462D+01  0.789481D-01 -0.878045D+00
      2   0.299454D+01 -0.136018D+01 -0.146568D+02 -0.392618D+01  0.583068D+01
      3  -0.630993D+01  0.493149D+00 -0.531723D+00 -0.751213D+00  0.104386D+01
                46            47            48            49            50 
      1  -0.469538D+00  0.243011D+01  0.290377D+01 -0.660522D+01  0.421438D+01
      2  -0.740908D+01 -0.164179D+01 -0.697162D+01  0.842833D+01 -0.216079D+01
      3   0.278580D+01  0.138717D+02  0.419438D+01  0.256209D+02  0.112022D+01
                51            52            53            54            55 
      1  -0.768623D+01  0.188106D+01 -0.357590D+01 -0.277118D+01  0.159269D+01
      2   0.724342D+01 -0.554256D+02  0.591676D+00 -0.294730D+02  0.969476D+00
      3   0.135393D+01  0.550839D+01  0.991740D+01 -0.121532D+01 -0.264666D+00
                56            57            58            59            60 
      1  -0.626261D+00 -0.763759D+00  0.144011D+00 -0.297258D+01 -0.149941D+01
      2  -0.192417D+01  0.889402D+01 -0.112551D+02  0.890237D+01 -0.896441D+01
      3  -0.814600D+01  0.532892D+00 -0.685734D+01  0.688673D+01 -0.788063D+01
                61            62            63            64            65 
      1  -0.128228D+01  0.889839D+01  0.684355D+00  0.908945D+01 -0.198852D+01
      2   0.351849D+02 -0.431754D+01  0.453150D+02  0.100095D+02 -0.726459D+01
      3  -0.505673D+01 -0.131452D+02  0.265513D+01 -0.122300D+02 -0.217847D+02
                66            67            68            69            70 
      1  -0.420259D+01 -0.163653D+01  0.810976D+01 -0.163717D+01 -0.803491D+01
      2  -0.238678D+01 -0.599390D+01  0.577231D+01 -0.235009D+01 -0.107749D+02
      3  -0.170103D+01 -0.972030D+01 -0.736204D+01 -0.467372D+01  0.112383D+01
                71            72            73            74            75 
      1   0.536867D+01 -0.168325D+02 -0.339616D+00 -0.170119D+01  0.367513D+01
      2   0.156219D+01 -0.166102D+02  0.499600D+01  0.880374D+01 -0.106541D+02
      3  -0.575981D+01  0.351442D+01  0.644507D+01 -0.238760D+02 -0.844043D+01
                76            77            78            79            80 
      1  -0.164155D+01 -0.529192D+00 -0.222477D+01  0.561017D+01  0.178825D+01
      2   0.114501D+02  0.326289D+01  0.886053D+00 -0.248337D+02 -0.217642D+01
      3  -0.153054D+02 -0.540386D+01 -0.266074D+01 -0.934870D+01 -0.207494D+01
                81            82            83            84            85 
      1   0.229004D+01  0.244008D+01  0.487108D+01 -0.200369D+01  0.651782D+01
      2  -0.617986D+01 -0.721757D+01 -0.752872D+01  0.156052D+01 -0.971143D+01
      3  -0.492078D+01 -0.458585D+01  0.949511D+01  0.347689D+01  0.226793D+02
                86            87            88            89            90 
      1   0.447184D+01  0.702693D+01 -0.330696D+01  0.163164D+02 -0.355057D+01
      2  -0.558384D+01 -0.549713D+01  0.998896D+00 -0.685846D+01  0.148442D+01
      3   0.105096D+02  0.659330D+00  0.300723D+01  0.367325D+00  0.106665D+02
                91            92            93            94            95 
      1   0.299905D+00 -0.249428D+01  0.110404D+01  0.757309D+01  0.333270D+01
      2  -0.214301D+02 -0.319929D+01 -0.399749D+01 -0.421874D+01  0.153186D+02
      3  -0.910913D+01 -0.115353D+02  0.293024D+01  0.161659D+02  0.221013D+02
                96            97            98            99           100 
      1  -0.867937D+01  0.551911D+01 -0.107989D+01 -0.447137D+01 -0.201590D+01
      2   0.837689D+01 -0.261565D+02  0.366810D+01  0.163272D+02  0.562248D+01
      3  -0.207827D+02  0.527359D+01 -0.116444D+02 -0.776145D+01  0.339286D+01
               101           102           103           104           105 
      1   0.120238D+01 -0.217281D+01  0.458317D+00 -0.112430D+01 -0.967727D-01
      2  -0.914453D+00  0.941608D+01 -0.232521D+01  0.178563D+01 -0.246914D+01
      3  -0.262224D+01  0.280770D+01  0.118111D-01  0.269436D+01 -0.238927D+01
               106           107           108           109           110 
      1  -0.358889D+01  0.312760D+01 -0.446329D+01  0.286664D+01 -0.176514D+00
      2   0.101270D+02  0.156080D+00  0.171687D+02 -0.101910D+02 -0.327016D+01
      3   0.490871D+01 -0.627507D+01  0.343477D+01  0.125664D+01 -0.460016D+01
               111           112           113           114           115 
      1  -0.275997D+01  0.179319D+01  0.516565D+00 -0.164709D+01 -0.320544D+01
      2   0.107241D+02 -0.373263D+01 -0.331293D+01  0.273661D+01  0.120427D+02
      3   0.284995D+00 -0.342766D+00 -0.254234D+01  0.183271D+01  0.740105D+00
               116           117           118           119           120 
      1   0.927892D+00  0.325530D+01 -0.821996D+00 -0.101495D+00  0.220731D+00
      2   0.308192D+01 -0.118716D+02  0.296394D+01  0.457832D+00  0.785010D+00
      3   0.591238D+01  0.451012D+00  0.289943D+00 -0.100092D+01  0.509061D+00
               121           122           123           124           125 
      1  -0.183205D+01 -0.160023D+01  0.101242D+00 -0.706039D+00  0.447690D+01
      2   0.914682D+00  0.489029D-01 -0.185298D+01 -0.380678D+01 -0.816464D+00
      3   0.307771D+01  0.416082D+00 -0.434330D+00  0.934255D+00 -0.102140D+01
               126           127           128           129           130 
      1  -0.375569D+01  0.225994D+01 -0.142673D+01  0.235255D+01 -0.117879D+01
      2   0.677241D+01 -0.896887D+00  0.117076D+01 -0.743222D-01  0.187213D+01
      3   0.110042D+01 -0.237533D+01  0.836937D+00 -0.258466D+01  0.207293D+01
               131           132           133           134           135 
      1   0.493950D+01 -0.683779D+01  0.840435D+00 -0.576051D+01  0.115492D+02
      2  -0.290203D+01  0.298926D+01 -0.184568D+01  0.475834D+01 -0.570260D+01
      3  -0.832312D+01  0.402694D+01 -0.456609D+01  0.703221D+01 -0.627546D+01
               136           137           138           139           140 
      1  -0.162367D+01 -0.628744D+00  0.291857D+00 -0.464138D+00 -0.232201D+01
      2   0.198275D+01  0.168673D+00  0.601328D+00  0.326829D+00  0.523517D+01
      3  -0.187584D+01 -0.786005D-01  0.926199D+00  0.160716D+01 -0.116468D+02
               141           142           143           144           145 
      1  -0.663248D+01  0.220345D+00 -0.451870D+01 -0.799897D+01 -0.144538D+01
      2   0.453642D+01 -0.257791D+01  0.683169D+01  0.654923D+01 -0.426148D+01
      3  -0.542345D+01  0.261072D+01 -0.876495D+01 -0.762341D+01 -0.647348D+00
               146           147           148           149           150 
      1   0.249705D+01 -0.657427D+00  0.210727D+01 -0.134872D+02  0.445157D+01
      2   0.173526D+01 -0.175570D+01  0.369626D+01 -0.710175D+01  0.742058D+01
      3   0.487176D+00  0.193307D-01  0.286019D+01 -0.690105D+01  0.408105D+01
               151           152           153           154           155 
      1  -0.561799D+00  0.709058D+01 -0.475961D+01  0.206235D+01 -0.337302D+01
      2  -0.329353D+01  0.459563D+01 -0.567188D+01  0.443124D+01 -0.137699D+01
      3  -0.700781D+00  0.310397D+01 -0.319497D+01  0.628096D+00 -0.405912D+01
               156           157           158           159           160 
      1   0.850376D+00 -0.184250D+01  0.198495D+01  0.543316D+00 -0.652358D+00
      2   0.396002D+01 -0.273663D+01 -0.128808D+01 -0.159367D+01 -0.265498D+01
      3  -0.743544D+00 -0.560992D+00  0.302388D+01  0.256193D+01  0.507694D+00
               161           162           163           164           165 
      1   0.290272D+01 -0.367416D+00  0.280202D+01  0.479709D+01 -0.620187D+00
      2  -0.355412D-01 -0.158577D+01 -0.131577D+02 -0.744567D+01 -0.537466D+01
      3   0.209607D+01  0.472631D+00  0.905473D+01  0.492661D+01  0.347851D+01
               166           167           168           169           170 
      1   0.276955D+01  0.446073D+01  0.139796D+00  0.404786D+00  0.279420D+01
      2  -0.697651D+01 -0.808289D+01 -0.406287D+01 -0.435160D+01 -0.307419D+01
      3   0.684958D+01  0.626323D+01  0.443007D+01  0.134758D+01  0.176374D+01
               171           172           173           174           175 
      1   0.639759D+00 -0.253685D+01 -0.196008D+01 -0.336897D+01 -0.140923D+01
      2  -0.401112D+01  0.112339D+01  0.197771D+01  0.337129D-01  0.134990D+01
      3   0.276632D+01  0.154817D+02  0.155527D+02  0.759866D+00  0.111333D+02
               176           177           178           179           180 
      1  -0.377270D+01 -0.374180D+01 -0.684722D+00 -0.860726D+00  0.242656D-01
      2   0.122937D+01 -0.460200D+00 -0.106747D+01 -0.181433D+01  0.819662D+00
      3   0.185373D+02  0.568802D+00  0.163679D+01  0.294603D+01  0.284667D+01
               181           182           183           184           185 
      1  -0.546442D+01  0.301872D+01  0.500306D+01  0.331288D+01 -0.339808D+01
      2  -0.702456D+01  0.402768D+01  0.712902D+01  0.286686D+01 -0.344602D+01
      3  -0.261650D+01 -0.313643D+01  0.139109D+01  0.209907D+01  0.436055D+01
               186           187           188           189           190 
      1  -0.305736D+01  0.386213D+01 -0.149103D+01 -0.199333D+01  0.138027D+01
      2  -0.282885D+01  0.473873D+01 -0.288907D+01 -0.278512D+01  0.146580D+01
      3   0.466935D+00  0.769616D-01  0.361793D+01 -0.403947D+00  0.719025D+00
               191           192           193           194           195 
      1   0.207343D+00  0.234348D+01 -0.132553D+00  0.195495D+01  0.454492D+00
      2   0.212347D+00  0.267702D+01  0.225245D+00  0.144761D+01  0.145359D+01
      3   0.342768D+00 -0.142761D+01  0.943508D+00 -0.267527D+00 -0.144909D+01
               196           197           198           199           200 
      1   0.384777D+01  0.261208D+01  0.177553D+02 -0.155020D+00  0.570533D+00
      2   0.781620D+00 -0.258056D+01  0.195192D+02 -0.116706D+01 -0.495383D+00
      3  -0.194733D+01 -0.397602D+01  0.617001D+00  0.113730D+01 -0.112719D+00
               201           202           203           204           205 
      1  -0.180209D+00  0.507071D+01 -0.101071D+00 -0.148385D+01  0.100257D+01
      2  -0.584082D+00  0.178329D+01  0.196033D+01 -0.152613D-01 -0.444946D+01
      3  -0.563322D+00  0.681628D+00  0.458966D+00 -0.936125D+00 -0.278738D+01
               206           207           208           209           210 
      1   0.250923D+01  0.403689D+01 -0.168796D+01 -0.378643D-01 -0.406068D-01
      2   0.699657D+00  0.350072D+01 -0.144272D+01  0.453738D+00 -0.719604D+00
      3  -0.160301D+01  0.359819D+00 -0.325894D+01 -0.945319D+00 -0.805226D-01
               211           212           213           214           215 
      1   0.671423D+01 -0.668385D+00  0.175299D+00  0.231302D+01  0.444063D+01
      2  -0.180168D+01 -0.207956D+01  0.298500D+01 -0.341566D+01  0.286091D+01
      3   0.107782D+02 -0.199416D+00  0.242352D+01  0.374589D+01  0.303359D+01
               216           217           218           219           220 
      1  -0.227507D+00  0.140252D+00 -0.591358D+00 -0.875605D+00 -0.276674D+01
      2  -0.105966D+02  0.603971D+00  0.142727D+01  0.400296D+01  0.529479D+01
      3  -0.347700D+01  0.131563D+01 -0.269934D+01 -0.217601D+01 -0.897263D+01
               221           222           223           224           225 
      1   0.289747D+01  0.285419D+01 -0.315550D+01  0.455190D+01  0.537563D+01
      2  -0.873038D+01 -0.127875D+02  0.106259D+02 -0.743093D+01 -0.270222D+02
      3   0.636443D+01  0.115225D+02 -0.532089D+01  0.964032D+01  0.110777D+02
               226           227           228           229           230 
      1  -0.157459D+01 -0.142875D-01 -0.112389D+01 -0.894106D+00 -0.355849D+00
      2   0.166411D+02  0.738723D+00  0.117231D+02  0.262309D+00  0.739378D+00
      3   0.308659D+01 -0.644410D+01  0.682005D+00 -0.309671D+01 -0.906770D+00
               231           232           233           234           235 
      1  -0.506114D+00 -0.122950D+01  0.907292D+00 -0.678889D+00  0.479547D+00
      2  -0.105291D+01  0.105030D+02 -0.169727D+00  0.894697D+01  0.141167D+01
      3  -0.461628D+00  0.407680D+00 -0.351117D+01  0.101709D+01  0.106262D+01
               236           237           238           239           240 
      1   0.802771D+00 -0.205156D+00 -0.240609D+01 -0.622976D+01 -0.218161D+00
      2   0.201935D+01  0.510853D+00  0.811184D+00 -0.972685D+01  0.739871D+01
      3   0.384814D+01 -0.234115D+01 -0.917708D+01 -0.361893D+02  0.132718D+02
               241           242           243 
      1   0.404480D-01  0.215716D+01 -0.220536D-02
      2   0.392991D+01  0.590928D+01 -0.769163D+01
      3   0.125300D+01  0.918068D+01 -0.684032D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.199107D+01  0.199143D+02  0.198164D+02  0.168663D+02  0.133850D+02
      2   0.183855D+01 -0.163127D+02 -0.141644D+02 -0.140794D+02  0.483923D+01
      3  -0.382961D+01 -0.360159D+01 -0.565206D+01 -0.278692D+01 -0.182243D+02
      4   0.213046D+02 -0.322134D+01 -0.125249D+02 -0.924786D+00 -0.102985D+02
      5   0.279349D+02 -0.183154D+02 -0.207009D+02 -0.199792D+02  0.122064D+02
      6  -0.190134D+02 -0.494833D+01  0.542330D+01 -0.260161D+01  0.659568D+00
                 6             7             8             9            10 
      1  -0.461671D+01  0.129492D+02 -0.549660D+01 -0.149904D+02 -0.278937D+02
      2  -0.366903D+01 -0.840741D+01 -0.408362D+01 -0.134786D+01  0.298637D+02
      3   0.828575D+01 -0.454184D+01  0.958023D+01  0.163382D+02 -0.196994D+01
      4   0.169356D+02 -0.127308D+02  0.135616D+02  0.121531D+01 -0.421857D+02
      5  -0.152934D+01 -0.193810D+02  0.124681D+01 -0.846861D+01 -0.147375D+02
      6  -0.125824D+02  0.516227D+01 -0.120305D+02  0.832792D+01  0.881977D+01
                11            12            13            14            15 
      1  -0.239046D+02 -0.914349D+01 -0.327808D+02 -0.288928D+02 -0.606772D+01
      2   0.163348D+02  0.487998D+01  0.211627D+02  0.105308D+02  0.785179D+01
      3   0.756988D+01  0.426352D+01  0.116181D+02  0.183620D+02 -0.178407D+01
      4   0.323239D+01  0.579365D+01 -0.250584D+01 -0.342134D+01 -0.169915D+02
      5   0.427848D+01  0.123725D+02  0.675466D+01 -0.147940D+02  0.205697D+01
      6  -0.494083D+01 -0.136235D+01 -0.267538D+01  0.151195D+02  0.108235D+01
                16            17            18            19            20 
      1   0.315582D+01 -0.388075D+01  0.140027D+02  0.836931D+02  0.121880D+02
      2  -0.127862D+02  0.111929D+02 -0.618255D+01 -0.801922D+02 -0.142870D+02
      3   0.963037D+01 -0.731217D+01 -0.782019D+01 -0.350089D+01  0.209908D+01
      4   0.109103D+02 -0.233128D+02 -0.265907D+01  0.925112D+01 -0.204955D+02
      5   0.135411D+02 -0.104958D+01  0.229363D+02 -0.751635D+01 -0.528227D+01
      6  -0.407183D+01 -0.177415D+01 -0.112334D+02 -0.180441D+02 -0.466619D+01
                21            22            23            24            25 
      1   0.438213D+01  0.141744D+02  0.119104D+02 -0.132711D+01  0.146380D+01
      2  -0.654451D+01 -0.178374D+02 -0.126860D+02 -0.347068D+01  0.343142D+01
      3   0.216238D+01  0.366299D+01  0.775536D+00  0.479779D+01 -0.489522D+01
      4  -0.530016D+01 -0.342638D+02 -0.358451D+01  0.431199D+01 -0.100960D+02
      5   0.510070D-01 -0.103471D+02  0.757737D+00  0.787660D+01 -0.231465D+01
      6  -0.101657D+01 -0.715942D+01 -0.439143D+01  0.101785D+01 -0.814047D+00
                26            27            28            29            30 
      1  -0.256854D+01  0.751295D+01 -0.143299D+03 -0.651495D+01 -0.762991D+01
      2  -0.430377D+01  0.121130D+02  0.106755D+03  0.542827D+01  0.474928D+01
      3   0.687231D+01 -0.196259D+02  0.365436D+02  0.108668D+01  0.288063D+01
      4   0.974870D+01  0.546144D+01  0.304900D+01 -0.101882D+02 -0.165634D+01
      5   0.399288D+01 -0.775846D+01  0.612869D+01 -0.160288D+01 -0.126624D+02
      6   0.524246D+01  0.287172D+01  0.192630D+02  0.641629D+01  0.242100D+01
                31            32            33            34            35 
      1  -0.338337D+02 -0.268421D+02 -0.879121D+01  0.284431D+02 -0.394674D+01
      2   0.290839D+02  0.246948D+02  0.537520D+01 -0.168564D+02  0.445131D+01
      3   0.474980D+01  0.214727D+01  0.341600D+01 -0.115868D+02 -0.504572D+00
      4  -0.100656D+02 -0.936044D+01 -0.250535D+01 -0.143476D+01 -0.297299D+00
      5  -0.672585D+00 -0.935470D+00 -0.345926D+01  0.743212D+00  0.164321D+01
      6   0.304468D+01  0.742306D+01  0.481311D+01 -0.359868D+00 -0.120306D+01
                36            37            38            39            40 
      1  -0.402675D+01  0.160834D+03  0.109110D+02  0.995563D+01  0.368068D+02
      2  -0.234512D+01 -0.115369D+03 -0.678684D+01 -0.688967D+01 -0.195795D+02
      3   0.637188D+01 -0.454652D+02 -0.412420D+01 -0.306596D+01 -0.172273D+02
      4   0.218078D+01 -0.388511D+01  0.183117D+02  0.721215D+00  0.308110D+02
      5  -0.147314D+01  0.964717D+01  0.217430D+01  0.223558D+02  0.459621D+01
      6   0.531517D+01 -0.198689D+02 -0.562992D+01 -0.354872D+01 -0.115629D+02
                41            42            43            44            45 
      1   0.198054D+01 -0.359219D+01 -0.374324D+02 -0.107013D+02  0.136440D+02
      2   0.454192D+01 -0.267192D+01  0.235586D+02  0.435900D+01 -0.177133D+01
      3  -0.652246D+01  0.626411D+01  0.138739D+02  0.634232D+01 -0.118727D+02
      4   0.700483D+01 -0.286530D+01  0.902606D+00 -0.408342D+01 -0.715612D+01
      5  -0.250848D+01 -0.442457D+01  0.289517D+02 -0.506425D+01  0.762026D+01
      6  -0.977584D+00  0.418788D+01 -0.212369D+01  0.428019D+01  0.647997D+01
                46            47            48            49            50 
      1  -0.630386D+02 -0.685104D+01  0.152792D+02  0.298092D+01 -0.325600D+01
      2   0.469245D+02 -0.182194D+01 -0.512953D+01 -0.786767D+01  0.633575D+01
      3   0.161141D+02  0.867298D+01 -0.101497D+02  0.488675D+01 -0.307975D+01
      4  -0.977566D+01 -0.198978D+02  0.737444D+01  0.169430D+01  0.233025D+01
      5   0.547046D+01  0.446511D+01 -0.220954D+02  0.303350D+02 -0.516197D+01
      6   0.139966D+02  0.192794D+01 -0.103919D+01 -0.303172D+01  0.482165D+01
                51            52            53            54            55 
      1   0.124351D+02 -0.471344D+02  0.793521D+01 -0.215632D+02  0.298154D+02
      2  -0.129548D+02  0.474692D+02 -0.590704D+00  0.236480D+02 -0.177761D+02
      3   0.519721D+00 -0.334798D+00 -0.734451D+01 -0.208479D+01 -0.120394D+02
      4  -0.681029D+01  0.308258D+02 -0.603199D+01  0.101140D+02 -0.748268D+01
      5   0.750962D+01 -0.669770D+02  0.512270D+01 -0.450792D+02  0.195289D+02
      6   0.363736D+01  0.148479D+02 -0.691265D+01  0.821038D+01 -0.242889D+01
                56            57            58            59            60 
      1  -0.340794D+01  0.970759D+01 -0.279535D+02  0.286500D+00 -0.492146D+01
      2   0.320488D+01 -0.686939D+01  0.178216D+02  0.864408D+00  0.454467D+01
      3   0.203056D+00 -0.283820D+01  0.101319D+02 -0.115091D+01  0.376797D+00
      4   0.139833D+02 -0.601708D+01  0.244588D+02 -0.161365D+02  0.216573D+02
      5  -0.506008D+01  0.231049D+02 -0.219063D+02  0.209262D+02 -0.118923D+02
      6   0.185544D+01 -0.142287D+01  0.120905D+02 -0.909318D+01  0.136939D+02
                61            62            63            64            65 
      1   0.786826D+02  0.205215D+01  0.664317D+01 -0.113462D+01  0.393013D+02
      2  -0.623507D+02 -0.194643D+01 -0.347390D+02 -0.230854D+02 -0.271005D+02
      3  -0.163319D+02 -0.105715D+00  0.280958D+02  0.242201D+02 -0.122007D+02
      4  -0.168779D+02  0.164701D+02 -0.150665D+02  0.414792D+02 -0.213512D+02
      5   0.751831D+02 -0.922075D+01  0.773581D+02  0.803124D+01 -0.317354D+01
      6  -0.134745D+02  0.154254D+02 -0.103279D+02 -0.849834D+01  0.725311D+01
                66            67            68            69            70 
      1   0.104282D+02  0.333889D+02  0.510193D+01  0.124844D-02  0.887987D+01
      2  -0.122799D+00 -0.205642D+02 -0.543921D+01 -0.754479D+01  0.797115D+01
      3  -0.103054D+02 -0.128247D+02  0.337275D+00  0.754354D+01 -0.168510D+02
      4  -0.132745D+02 -0.162589D+02 -0.570361D+01  0.157750D+02 -0.208329D+02
      5  -0.500568D+01 -0.443523D+01  0.154616D+02 -0.708528D+01 -0.685934D+01
      6   0.424658D+01  0.859339D+01 -0.139597D+02  0.519320D+01  0.609145D+01
                71            72            73            74            75 
      1  -0.268965D+01 -0.412262D+01 -0.135532D+02 -0.126624D+02  0.320231D+01
      2  -0.100867D+02  0.176507D+02  0.903465D+01  0.955078D+01  0.552397D+01
      3   0.127763D+02 -0.135281D+02  0.451858D+01  0.311163D+01 -0.872628D+01
      4   0.203369D+02  0.466636D+01 -0.108644D+02  0.125404D+02  0.119499D+02
      5  -0.176380D+00 -0.357425D+02  0.114707D+02  0.115330D+02 -0.271730D+02
      6   0.593204D+01  0.198790D+02  0.348013D+01  0.892181D+01 -0.272497D+01
                76            77            78            79            80 
      1  -0.128520D+02  0.340680D+02  0.195849D+02  0.124682D+02  0.204496D+02
      2   0.101716D+02 -0.166156D+02 -0.103688D+02  0.246929D+01 -0.126428D+02
      3   0.268048D+01 -0.174524D+02 -0.921612D+01 -0.149375D+02 -0.780683D+01
      4   0.249904D+02  0.205764D+02  0.944650D+01  0.225296D+02  0.134249D+02
      5   0.196620D+02  0.708790D+01  0.282721D+01 -0.420307D+02 -0.847793D+00
      6   0.660430D+01  0.129460D+01 -0.104038D+00 -0.600539D+01  0.243988D+01
                81            82            83            84            85 
      1  -0.348461D+02 -0.479035D+02  0.514137D+01  0.520030D+01  0.127451D+02
      2   0.259722D+02  0.505465D+02  0.697969D+01 -0.614950D+01  0.290918D+01
      3   0.887385D+01 -0.264296D+01 -0.121211D+02  0.949203D+00 -0.156542D+02
      4  -0.558621D+01  0.255971D+02  0.193697D+02 -0.868384D+00  0.269282D+02
      5  -0.166869D+02  0.634551D+01  0.580726D+00  0.148804D+01 -0.102271D+01
      6   0.256717D+01  0.126529D+02 -0.222289D+01  0.288225D+01 -0.161604D+01
                86            87            88            89            90 
      1   0.903322D+01 -0.529470D+00  0.249468D+02  0.548983D+01  0.256233D+02
      2  -0.259940D+01  0.123006D+01 -0.245172D+02 -0.496937D+01 -0.280025D+02
      3  -0.643381D+01 -0.700591D+00 -0.429621D+00 -0.520460D+00  0.237919D+01
      4  -0.229569D+01 -0.815167D+01 -0.718631D+01 -0.143020D+02 -0.132581D+02
      5  -0.360971D+01 -0.111051D+02  0.260062D+01 -0.167328D+02  0.219286D+01
      6  -0.116659D+02 -0.209783D+02 -0.307528D+01 -0.328172D+02 -0.557726D+01
                91            92            93            94            95 
      1  -0.176780D+02  0.100116D+02 -0.442010D+02  0.223542D+02  0.128896D+02
      2   0.749845D+01 -0.248823D+01  0.212253D+02 -0.183241D+02 -0.122767D+02
      3   0.101796D+02 -0.752339D+01  0.229757D+02 -0.403007D+01 -0.612874D+00
      4   0.170112D+02  0.161165D+02 -0.126691D+02 -0.539479D+01 -0.330343D+02
      5  -0.511178D+02 -0.117687D+02  0.577791D+00 -0.143444D+02  0.262747D+02
      6  -0.732780D+01 -0.498947D+01  0.279468D+01  0.353357D+01  0.105904D+02
                96            97            98            99           100 
      1  -0.107619D+02 -0.617706D+02 -0.972609D+01 -0.202018D+02  0.363825D+02
      2   0.174160D+02  0.287933D+02  0.126308D+02  0.162421D+02 -0.241003D+02
      3  -0.665411D+01  0.329773D+02 -0.290470D+01  0.395974D+01 -0.122823D+02
      4   0.285857D+02 -0.136447D+02  0.214326D+02  0.125573D+02  0.642849D+01
      5   0.199557D+02 -0.254321D+02  0.126124D+02  0.322502D+02  0.250942D+02
      6  -0.846648D+01  0.423505D+01 -0.451328D+01 -0.651598D+01  0.180672D+01
               101           102           103           104           105 
      1   0.203050D+01  0.166443D+02 -0.565555D+01  0.741084D+00 -0.536425D+01
      2  -0.545840D+00 -0.128648D+02  0.427032D+01 -0.135621D+01  0.424528D+01
      3  -0.148466D+01 -0.377949D+01  0.138523D+01  0.615124D+00  0.111897D+01
      4   0.514671D+01  0.105541D+01  0.651268D+01 -0.280182D+01  0.523135D+01
      5  -0.854473D+00  0.236647D+02 -0.649011D+01  0.603233D+01 -0.531633D+01
      6   0.111753D+01  0.256145D+01  0.252291D+01 -0.191962D+00  0.420187D+01
               106           107           108           109           110 
      1   0.283609D+02 -0.211233D+01  0.200592D+02  0.612148D+02  0.139410D+02
      2  -0.238630D+02  0.268830D+01 -0.239459D+02 -0.309584D+02 -0.512900D+01
      3  -0.449790D+01 -0.575969D+00  0.388668D+01 -0.302564D+02 -0.881199D+01
      4   0.284248D+01  0.906443D+01  0.425558D+01  0.265642D+02  0.133100D+02
      5   0.384073D+02  0.109679D+01  0.418151D+02 -0.229214D+02 -0.680475D+01
      6   0.411727D+01  0.410652D+01  0.529528D+01 -0.670825D+01 -0.313115D+01
               111           112           113           114           115 
      1  -0.177953D+02  0.120277D+02  0.403162D+01 -0.503896D+01 -0.371367D+02
      2   0.875352D+01 -0.338112D+01  0.240646D+01  0.155473D+01  0.196958D+02
      3   0.904173D+01 -0.864655D+01 -0.643808D+01  0.348424D+01  0.174409D+02
      4  -0.942293D+01  0.162276D+02  0.105562D+02 -0.805871D+01 -0.189260D+02
      5   0.194260D+02 -0.700097D+01 -0.703427D+01  0.428038D+01  0.311997D+02
      6   0.424987D+01 -0.426363D+01 -0.265701D+01  0.386138D+01  0.815345D+01
               116           117           118           119           120 
      1  -0.936438D+01  0.199646D+02  0.104188D+01 -0.163825D+00  0.231924D+01
      2   0.331771D+01 -0.144129D+02 -0.387003D+01  0.640142D-01  0.460764D+00
      3   0.604667D+01 -0.555168D+01  0.282815D+01  0.998112D-01 -0.278000D+01
      4  -0.144975D+02  0.106830D+02 -0.133987D+01  0.256108D+01  0.542175D+00
      5   0.761879D+01 -0.219656D+02  0.863542D+00 -0.214014D+00  0.631945D+01
      6   0.466166D+01 -0.668257D+01 -0.252038D+00 -0.519336D-01 -0.164521D+00
               121           122           123           124           125 
      1   0.145078D+01 -0.582224D+01  0.461363D+01  0.169982D+00  0.194000D+01
      2   0.922244D-01  0.136286D+01  0.246309D+00 -0.287272D+00  0.246086D+01
      3  -0.154300D+01  0.445939D+01 -0.485994D+01  0.117291D+00 -0.440086D+01
      4   0.214739D+01 -0.103767D+01  0.102001D+01  0.173913D+00  0.398208D+01
      5  -0.435134D+00  0.823556D+00 -0.335581D+01  0.549211D+01 -0.181756D+01
      6  -0.578554D+00 -0.253298D+01  0.647494D+01 -0.255181D+00  0.448522D+01
               126           127           128           129           130 
      1  -0.218556D+02  0.406832D+00  0.639852D+01 -0.373840D+01  0.413881D+01
      2  -0.122180D+02 -0.272016D+00 -0.828734D+01  0.366149D+01 -0.408651D+01
      3   0.340737D+02 -0.134815D+00  0.188882D+01  0.769020D-01 -0.523061D-01
      4  -0.296362D+01 -0.136004D+01  0.135721D+01 -0.213247D+01  0.346082D+01
      5   0.114749D+02 -0.879235D+00 -0.927852D-02  0.324205D+00  0.914695D-01
      6  -0.164244D+00 -0.456413D+01  0.255644D+01 -0.304010D+01  0.763281D+00
               131           132           133           134           135 
      1  -0.195200D+02  0.779072D+01 -0.704593D+01  0.151591D+02 -0.158481D+02
      2   0.270462D+02 -0.107337D+02  0.455546D+01 -0.202860D+02  0.149419D+02
      3  -0.752623D+01  0.294302D+01  0.249047D+01  0.512683D+01  0.906161D+00
      4   0.992467D+01 -0.392141D+01 -0.478063D+01 -0.861132D+01  0.623391D+01
      5  -0.550877D+01  0.601795D+01  0.576609D+00  0.878612D+01 -0.107794D+02
      6  -0.952020D+01  0.123518D+02 -0.184651D+00  0.168479D+02 -0.156873D+02
               136           137           138           139           140 
      1   0.694198D+01  0.602383D+01  0.333432D+01  0.321811D+01 -0.285919D+02
      2  -0.534111D+01 -0.433781D+01 -0.133446D+01 -0.590635D+00  0.357126D+02
      3  -0.160087D+01 -0.168602D+01 -0.199986D+01 -0.262747D+01 -0.712069D+01
      4   0.442153D+01  0.644931D+01  0.451581D+01  0.954335D+01  0.232879D+02
      5   0.215273D+01  0.353823D+01  0.439693D+01  0.402388D+01  0.119219D+02
      6   0.350769D+01 -0.478524D+00 -0.885338D+00  0.421028D+01  0.280096D+02
               141           142           143           144           145 
      1  -0.138033D+02 -0.313006D+01 -0.248163D+02 -0.226969D+02 -0.187829D+01
      2   0.139955D+02  0.510007D+01  0.228185D+02  0.138338D+02 -0.111856D+01
      3  -0.192202D+00 -0.197002D+01  0.199778D+01  0.886312D+01  0.299685D+01
      4   0.117372D+02  0.107835D+02  0.198575D+02  0.146295D+02  0.583432D+00
      5   0.951626D+01  0.772866D+01  0.160214D+02  0.144921D+02 -0.299942D+01
      6   0.214036D+02  0.659701D+01  0.321343D+02  0.275920D+02 -0.666661D+00
               146           147           148           149           150 
      1   0.116567D+01 -0.603547D+01  0.275776D+01 -0.948033D+01  0.100560D+02
      2   0.123418D+01  0.864821D+00 -0.959970D+00 -0.131524D+01  0.723269D+01
      3  -0.239985D+01  0.517065D+01 -0.179779D+01  0.107956D+02 -0.172887D+02
      4   0.395018D+00  0.125383D+01  0.193436D+00  0.158089D+02 -0.960827D+01
      5  -0.130843D+00  0.354657D+01 -0.262142D+01 -0.773062D+01  0.117979D+02
      6   0.273982D+01 -0.158912D+01  0.143308D+01 -0.160416D+02  0.110500D+02
               151           152           153           154           155 
      1  -0.330731D+01  0.707715D+01 -0.103848D+02  0.277905D+02 -0.733496D+01
      2   0.117454D+01  0.456562D+01 -0.751933D+01 -0.204195D+02  0.409782D+01
      3   0.213276D+01 -0.116428D+02  0.179041D+02 -0.737102D+01  0.323714D+01
      4   0.109508D+01 -0.705572D+01  0.659207D+01 -0.222118D+02  0.148459D+02
      5   0.490424D+01  0.511223D+01 -0.816526D+01 -0.394095D+02  0.146296D+02
      6  -0.155489D+01  0.112053D+02 -0.880316D+01  0.128120D+02 -0.899868D+01
               156           157           158           159           160 
      1  -0.938039D+01 -0.725224D+01  0.700405D+00  0.364750D-01 -0.652018D+01
      2   0.149688D+02  0.421044D+01 -0.290034D+00 -0.225133D+01  0.114251D+02
      3  -0.558841D+01  0.304180D+01 -0.410371D+00  0.221485D+01 -0.490491D+01
      4   0.125708D+02  0.137365D+02 -0.112891D+02 -0.104358D+02  0.826722D+01
      5   0.313351D+02  0.139436D+02 -0.114737D+02 -0.115078D+02  0.218834D+02
      6  -0.101179D+02 -0.802434D+01  0.844819D+01  0.101320D+02 -0.725631D+01
               161           162           163           164           165 
      1   0.758065D-01  0.214735D+01 -0.112975D+02 -0.140452D+02 -0.138026D+02
      2  -0.188623D+01 -0.108445D+02  0.564727D+01  0.957604D+01  0.231829D+01
      3   0.181043D+01  0.869712D+01  0.565021D+01  0.446912D+01  0.114843D+02
      4  -0.590287D+01 -0.843577D+01  0.142401D+01 -0.676122D+00  0.531905D+00
      5  -0.841542D+01 -0.211494D+02  0.626396D+01  0.458164D+01  0.162612D+01
      6   0.726354D+01  0.824826D+01  0.888258D+01  0.109572D+02  0.769191D+01
               166           167           168           169           170 
      1  -0.113418D+02 -0.171810D+02 -0.947979D+01 -0.672025D+01 -0.508890D+01
      2   0.808571D+01  0.126005D+02  0.298474D+01  0.113774D+01  0.773719D+00
      3   0.325607D+01  0.458044D+01  0.649505D+01  0.558251D+01  0.431519D+01
      4   0.145420D+01 -0.269329D+01 -0.373728D+01  0.109815D+01 -0.179290D+01
      5   0.651546D+01  0.203666D+00 -0.170810D+01  0.463662D+01  0.473464D+00
      6   0.669299D+01  0.131054D+02  0.113452D+02  0.402496D+01  0.780291D+01
               171           172           173           174           175 
      1  -0.771037D+01 -0.143533D+02 -0.261812D+02 -0.976504D+00 -0.160584D+02
      2  -0.222659D+00  0.163888D+02  0.300881D+02  0.944496D+00  0.157206D+02
      3   0.793303D+01 -0.203546D+01 -0.390690D+01  0.320084D-01  0.337851D+00
      4  -0.380509D+00  0.399686D+01 -0.366304D+00  0.238611D+01  0.615037D+01
      5   0.598247D+00 -0.432763D+01 -0.168452D+01 -0.180909D+01 -0.264899D+01
      6   0.560111D+01  0.210804D+00 -0.373260D+01  0.538764D+01 -0.136406D+01
               176           177           178           179           180 
      1  -0.283317D+02 -0.831477D+00 -0.350956D+01 -0.290763D+01 -0.480319D+01
      2   0.388692D+02  0.217915D+01  0.144710D+01  0.613807D+01  0.301803D+01
      3  -0.105375D+02 -0.134767D+01  0.206247D+01 -0.323045D+01  0.178516D+01
      4  -0.846209D+01 -0.529475D+00  0.292064D+01 -0.398082D+01 -0.695451D+00
      5  -0.315632D+01 -0.200949D+01  0.706680D+00 -0.184170D+01  0.203853D+01
      6  -0.299831D+01  0.524823D+01  0.211845D+01  0.550810D+01 -0.781707D+00
               181           182           183           184           185 
      1   0.448095D+02 -0.187026D+02 -0.771836D+01 -0.154965D+02  0.474556D+01
      2  -0.724889D+01 -0.362176D+01  0.120112D+01 -0.219752D+01  0.124160D+02
      3  -0.375606D+02  0.223243D+02  0.651724D+01  0.176940D+02 -0.171615D+02
      4  -0.540375D+02  0.373690D+02  0.764153D+01  0.296195D+02 -0.269294D+02
      5  -0.337976D+01  0.100799D+01  0.997845D+01  0.164319D+01 -0.273589D+01
      6   0.354135D+01 -0.168398D+01 -0.721842D+01 -0.159899D+01  0.224364D+01
               186           187           188           189           190 
      1   0.123623D+01 -0.120381D+02  0.317934D+01  0.536954D+01  0.378548D+01
      2   0.255909D+01 -0.264001D+00  0.565300D+01 -0.242146D+01 -0.207926D+01
      3  -0.379532D+01  0.123021D+02 -0.883233D+01 -0.294808D+01 -0.170622D+01
      4  -0.596140D+01  0.185690D+02 -0.162804D+02 -0.962112D+01 -0.709975D+01
      5  -0.312187D+01  0.987470D+01 -0.596891D+01 -0.422797D+01  0.703005D+01
      6   0.392067D+01 -0.764238D+01  0.488524D+01  0.318081D+01 -0.285759D+01
               191           192           193           194           195 
      1  -0.443630D+01  0.420909D+01 -0.912935D-01 -0.224957D+01  0.241182D+01
      2   0.245066D+01 -0.449272D+01 -0.597515D+00  0.340631D+00 -0.426448D+01
      3   0.198564D+01  0.283632D+00  0.688808D+00  0.190894D+01  0.185266D+01
      4   0.493313D+01 -0.267802D+01  0.270184D+01  0.887439D+00  0.287251D+01
      5  -0.127336D+01  0.105328D+02  0.154349D+01  0.294853D+01  0.307055D+01
      6   0.450668D+00 -0.370721D+01  0.227704D+00 -0.125098D+01  0.454321D+01
               196           197           198           199           200 
      1   0.388500D+01  0.469077D+01 -0.971469D+01 -0.998615D+00 -0.103940D+01
      2  -0.633820D+01 -0.470970D+01 -0.168217D+02  0.164243D+01  0.808659D+00
      3   0.245320D+01  0.189297D-01  0.265363D+02 -0.643814D+00  0.230737D+00
      4  -0.604714D+01  0.825546D+01 -0.914267D+01 -0.853834D-01  0.141137D+01
      5   0.158455D+02 -0.665837D+01  0.433024D+02  0.573867D+00 -0.421581D+00
      6  -0.763144D+01  0.977500D+01 -0.297290D+02 -0.622190D+00  0.155363D+00
               201           202           203           204           205 
      1   0.107189D+01 -0.227469D+01 -0.176808D+01  0.542283D+01  0.653004D+01
      2  -0.758441D+00 -0.233293D+01  0.107095D+01 -0.289943D+01 -0.339232D+01
      3  -0.313451D+00  0.460762D+01  0.697135D+00 -0.252340D+01 -0.313772D+01
      4  -0.679211D+00  0.596900D+00 -0.159106D+01  0.225697D+01 -0.299251D+00
      5   0.202498D+01 -0.448570D+00  0.133471D+01 -0.665812D+00  0.112469D+01
      6   0.194055D+00  0.897264D+00 -0.375879D+01  0.360536D+01  0.804849D+00
               206           207           208           209           210 
      1   0.665551D+01 -0.131096D+02  0.262064D+01  0.254204D+01 -0.592372D+01
      2  -0.446862D+01  0.158706D+01 -0.323216D+01 -0.137174D+01  0.216120D+01
      3  -0.218689D+01  0.115226D+02  0.611523D+00 -0.117029D+01  0.376251D+01
      4   0.196350D+01 -0.305015D+01  0.279614D+01  0.153025D+01 -0.169965D+01
      5  -0.188001D+01  0.453351D+01 -0.518839D+01 -0.182372D+01  0.448207D+01
      6   0.498883D+01 -0.740380D+01 -0.180462D+01  0.226321D+00  0.460913D+00
               211           212           213           214           215 
      1   0.234290D+01 -0.424568D+01  0.455893D+01 -0.132845D+01  0.515757D+01
      2  -0.445591D+01  0.572988D+00  0.157430D+01  0.291551D+01  0.167811D+00
      3   0.211301D+01  0.367270D+01 -0.613323D+01 -0.158707D+01 -0.532538D+01
      4  -0.233203D+01  0.140854D+01 -0.254025D+01 -0.331049D+01 -0.321409D+01
      5  -0.491506D+01 -0.358513D+01  0.678372D+01  0.659720D+01  0.561896D+01
      6   0.135441D+01 -0.298342D+01  0.427088D+01  0.245610D+01  0.601313D+01
               216           217           218           219           220 
      1  -0.197351D+02  0.180592D+02 -0.593652D+01 -0.671212D+01 -0.195015D+02
      2  -0.700483D+01 -0.125131D+02  0.378188D+01  0.527258D+01  0.132603D+02
      3   0.267399D+02 -0.554612D+01  0.215464D+01  0.143954D+01  0.624119D+01
      4   0.426402D+01 -0.652033D+01  0.379808D+01  0.514494D+01  0.139352D+02
      5  -0.202967D+02 -0.857585D+01  0.583535D+01  0.114364D+02  0.176949D+02
      6  -0.657481D+01  0.253642D+01 -0.389400D+00 -0.686454D+00 -0.491585D+01
               221           222           223           224           225 
      1   0.203574D+01  0.605318D+01 -0.254823D+02 -0.665197D+00  0.107237D+02
      2  -0.192284D+01 -0.104124D+02  0.199553D+02 -0.503656D+01 -0.237790D+02
      3  -0.112903D+00  0.435917D+01  0.552703D+01  0.570176D+01  0.130553D+02
      4  -0.128666D+02 -0.201529D+02  0.424578D+01 -0.193342D+02 -0.166323D+02
      5  -0.187995D+02 -0.269389D+02  0.365589D+02 -0.150215D+02 -0.594440D+02
      6   0.557493D+01  0.894694D+01 -0.291301D+01  0.691813D+01  0.659698D+01
               226           227           228           229           230 
      1   0.101139D+03  0.169485D+01  0.236656D+02 -0.686530D+01  0.915327D+01
      2  -0.483365D+02  0.264122D+00 -0.100385D+02  0.446532D+01 -0.279266D+01
      3  -0.528026D+02 -0.195898D+01 -0.136271D+02  0.239998D+01 -0.636061D+01
      4   0.645248D+01  0.128796D+02  0.257086D+01  0.145078D+02  0.301003D+01
      5   0.192181D+02  0.162740D+01  0.172021D+02  0.438473D+00  0.150128D+01
      6   0.304994D+01 -0.192054D+00  0.188890D+01  0.200283D+00 -0.649183D+00
               231           232           233           234           235 
      1   0.287440D+00  0.517248D+02  0.265226D+01  0.202091D+02  0.488138D+01
      2  -0.873479D+00 -0.245463D+02 -0.121799D+01 -0.114455D+02 -0.141697D+01
      3   0.586039D+00 -0.271785D+02 -0.143427D+01 -0.876365D+01 -0.346441D+01
      4   0.190017D+01  0.514107D+01  0.705048D+01  0.424872D+00  0.274452D+01
      5  -0.261902D+01  0.237960D+02 -0.858647D-01  0.158363D+02  0.268613D+01
      6   0.232178D+01  0.270970D+01  0.176364D+01  0.248287D+01 -0.190294D+01
               236           237           238           239           240 
      1   0.825774D+01  0.357405D+00  0.225344D+02 -0.883021D+01  0.267078D+01
      2  -0.594343D+01  0.114907D+00 -0.605866D+01  0.229860D+02 -0.494213D+01
      3  -0.231430D+01 -0.472312D+00 -0.164757D+02 -0.141558D+02  0.227135D+01
      4  -0.921022D+00  0.181965D+01  0.238601D+02  0.629663D+02 -0.220734D+02
      5   0.111713D+01 -0.114583D+00 -0.997447D+01 -0.204466D+02  0.150461D+02
      6   0.147796D+01 -0.167886D+01 -0.538882D+01 -0.176688D+02  0.115127D+02
               241           242           243 
      1  -0.736218D+01  0.348382D+01  0.191971D+01
      2   0.425136D+01 -0.295548D+01 -0.177282D+01
      3   0.311081D+01 -0.528340D+00 -0.146890D+00
      4  -0.413823D+01 -0.164506D+02  0.113695D+02
      5   0.144275D+02  0.116908D+02 -0.178243D+02
      6   0.229967D+01  0.999460D+01 -0.621823D+01
 Leave Link  716 at Thu Aug 12 20:37:32 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.181785D+03  0.625564D+01 -0.261266D+01
      2   0.625564D+01  0.112423D+03 -0.305059D+01
      3  -0.261266D+01 -0.305059D+01  0.116685D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.476168D+01 -0.768327D+01 -0.798536D+01
      2   0.356336D+02 -0.124611D+02 -0.556938D+01
      3  -0.291511D+02  0.427358D+02  0.162964D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.102536D+03  0.299386D+02 -0.162509D+01
      2  -0.819380D+02 -0.116805D+01  0.261931D+01
      3  -0.205985D+02 -0.287706D+02 -0.994219D+00
      4   0.391462D+02 -0.101847D+03 -0.362352D+02
      5  -0.290112D+02 -0.357734D+02 -0.994768D+01
      6  -0.171619D+02 -0.302975D+02  0.117120D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.442254D+01 -0.460376D+01 -0.468776D+01 -0.511383D+01 -0.174238D+01
      2  -0.460376D+01 -0.188369D+01  0.808771D+00 -0.174238D+01  0.162989D+01
      3  -0.468776D+01  0.808771D+00  0.154943D+01  0.119344D+01 -0.430628D+01
                 6             7             8             9            10 
      1   0.119344D+01 -0.316109D+01  0.122702D+01  0.161204D+01 -0.298043D+02
      2  -0.430628D+01  0.122702D+01 -0.329560D+01  0.485120D+00  0.757150D+01
      3   0.115484D+01  0.161204D+01  0.485120D+00  0.350713D+01  0.383115D+01
                11            12            13            14            15 
      1   0.757150D+01  0.383115D+01  0.132045D+02 -0.831509D+00 -0.167086D+01
      2   0.144395D+01 -0.667763D+00 -0.831509D+00  0.765052D+00  0.327378D+01
      3  -0.667763D+00 -0.197052D+01 -0.167086D+01  0.327378D+01 -0.228209D+00
                16            17            18            19            20 
      1   0.178752D+02 -0.216319D+01 -0.280324D+01  0.582350D+02  0.526464D-01
      2  -0.216319D+01  0.470178D+01  0.596507D+00  0.526464D-01  0.533323D+01
      3  -0.280324D+01  0.596507D+00 -0.532101D+01 -0.429170D-01  0.144773D+01
                21            22            23            24            25 
      1  -0.429170D-01 -0.570213D+01  0.994371D+01  0.336619D+01 -0.600097D+01
      2   0.144773D+01  0.994371D+01  0.113580D+01 -0.566610D+00  0.250912D+01
      3   0.746664D+00  0.336619D+01 -0.566610D+00 -0.313634D+01  0.863864D+00
                26            27            28            29            30 
      1   0.250912D+01  0.863864D+00 -0.713456D+02 -0.360837D+01 -0.727858D+00
      2  -0.153207D+01 -0.257494D+01 -0.360837D+01 -0.392841D+01 -0.931066D+00
      3  -0.257494D+01  0.509367D+01 -0.727858D+00 -0.931066D+00 -0.168897D+01
                31            32            33            34            35 
      1  -0.125097D+02 -0.610734D+01 -0.195812D+01  0.952646D+01 -0.258892D+00
      2  -0.610734D+01 -0.324478D+01 -0.524684D+00 -0.258892D+00  0.104663D+01
      3  -0.195812D+01 -0.524684D+00  0.149667D+01 -0.226952D+01  0.186832D+01
                36            37            38            39            40 
      1  -0.226952D+01  0.616723D+02  0.319857D+01  0.329457D+01  0.141987D+02
      2   0.186832D+01  0.319857D+01  0.204359D+01  0.883151D+00  0.470743D+01
      3  -0.335933D+01  0.329457D+01  0.883151D+00  0.137045D+01  0.125731D+01
                41            42            43            44            45 
      1   0.470743D+01  0.125731D+01 -0.134846D+02 -0.814208D+00  0.417315D+01
      2   0.267335D+01 -0.550453D+00 -0.814208D+00 -0.207433D+01 -0.205351D+01
      3  -0.550453D+00 -0.200643D+01  0.417315D+01 -0.205351D+01  0.255258D+01
                46            47            48            49            50 
      1  -0.190115D+02 -0.108348D+01 -0.239289D+01  0.692815D+01  0.765656D+00
      2  -0.108348D+01  0.122740D+01  0.531216D+00  0.765656D+00  0.659913D+00
      3  -0.239289D+01  0.531216D+00  0.273930D+00  0.388187D+01 -0.857911D+00
                51            52            53            54            55 
      1   0.388187D+01 -0.290107D+02  0.166074D+01 -0.990005D+01  0.533211D+01
      2  -0.857911D+00  0.166074D+01  0.620959D+00  0.102656D+01 -0.700790D+00
      3   0.167156D+01 -0.990005D+01  0.102656D+01 -0.606549D+01  0.253444D+01
                56            57            58            59            60 
      1  -0.700790D+00  0.253444D+01 -0.103390D+02  0.210069D+01 -0.349874D+01
      2   0.219258D+00 -0.638807D+00  0.210069D+01 -0.199055D+01  0.302021D+01
      3  -0.638807D+00  0.123037D+01 -0.349874D+01  0.302021D+01 -0.165400D+01
                61            62            63            64            65 
      1   0.298259D+02 -0.801825D+00  0.112722D+02  0.950743D+01 -0.626879D+01
      2  -0.801825D+00  0.108205D+01 -0.138375D+01 -0.626879D+01 -0.155051D+01
      3   0.112722D+02 -0.138375D+01  0.110862D+02 -0.186833D+01  0.108659D+01
                66            67            68            69            70 
      1  -0.186833D+01 -0.612733D+01 -0.988899D+00  0.130323D+01 -0.675603D+01
      2   0.108659D+01 -0.988899D+00 -0.835745D+00 -0.273831D+01  0.179633D+01
      3   0.133039D+01  0.130323D+01 -0.273831D+01  0.143505D+01  0.179526D+01
                71            72            73            74            75 
      1   0.179633D+01  0.179526D+01  0.873512D+00  0.112585D+01 -0.127892D+01
      2  -0.354138D+01 -0.130181D+00  0.112585D+01 -0.465911D+01 -0.207339D+01
      3  -0.130181D+00  0.697180D+01 -0.127892D+01 -0.207339D+01  0.308693D+01
                76            77            78            79            80 
      1   0.169669D+01 -0.468461D+01 -0.294915D+01 -0.243633D+01 -0.273655D+01
      2  -0.468461D+01 -0.308580D+01 -0.124213D+01 -0.273655D+01 -0.165658D+01
      3  -0.294915D+01 -0.124213D+01 -0.806812D+00  0.514424D+01 -0.107957D+00
                81            82            83            84            85 
      1   0.514424D+01 -0.119147D+02 -0.783347D+01 -0.152180D+01 -0.933742D+01
      2  -0.107957D+00 -0.783347D+01 -0.213105D+01  0.947452D+00 -0.459916D+01
      3   0.233538D+01 -0.152180D+01  0.947452D+00 -0.548703D+00  0.538248D+00
                86            87            88            89            90 
      1  -0.459916D+01  0.538248D+00  0.743351D+01  0.242703D+01 -0.429404D-01
      2   0.202272D+01  0.138815D+01  0.242703D+01  0.288637D+01  0.513397D+01
      3   0.138815D+01  0.354347D+01 -0.429404D-01  0.513397D+01 -0.391223D+00
                91            92            93            94            95 
      1  -0.154724D+01  0.177328D+01 -0.525351D+01  0.299766D+01 -0.481465D+00
      2   0.177328D+01  0.124777D+01 -0.123098D+01 -0.481465D+00 -0.447570D+01
      3  -0.525351D+01 -0.123098D+01 -0.893280D+00 -0.106865D+01  0.354163D+01
                96            97            98            99           100 
      1  -0.106865D+01 -0.829586D+01 -0.103533D+01 -0.368938D+01 -0.479284D+01
      2   0.354163D+01 -0.103533D+01  0.291337D+01  0.110530D+01 -0.259605D+00
      3   0.170416D+01 -0.368938D+01  0.110530D+01  0.437818D+01 -0.258554D+01
               101           102           103           104           105 
      1  -0.259605D+00 -0.258554D+01  0.791382D+00 -0.554069D+00  0.777601D+00
      2  -0.422871D+00  0.108499D+00 -0.554069D+00  0.408865D+00 -0.593878D+00
      3   0.108499D+00 -0.247159D+01  0.777601D+00 -0.593878D+00  0.764693D+00
               106           107           108           109           110 
      1  -0.441610D+01  0.225923D+00 -0.429848D+01 -0.782052D+01 -0.206205D+01
      2   0.225923D+00 -0.138797D+01 -0.151105D+00 -0.206205D+01 -0.103786D+01
      3  -0.429848D+01 -0.151105D+00 -0.527762D+01  0.262120D+01  0.816221D+00
               111           112           113           114           115 
      1   0.262120D+01 -0.158283D+01 -0.149031D+01  0.902886D+00  0.571482D+01
      2   0.816221D+00 -0.149031D+01 -0.108690D+01  0.804406D+00  0.165229D+01
      3  -0.210962D+01  0.902886D+00  0.804406D+00 -0.548491D+00 -0.372905D+01
               116           117           118           119           120 
      1   0.165229D+01 -0.372905D+01  0.960088D-01  0.454428D+00 -0.843986D+00
      2   0.160999D+01 -0.922183D+00  0.454428D+00 -0.266131D+00 -0.229142D+00
      3  -0.922183D+00  0.267091D+01 -0.843986D+00 -0.229142D+00  0.311079D+00
               121           122           123           124           125 
      1   0.177647D+01 -0.595776D+00 -0.759095D-01 -0.100885D+01 -0.133255D-01
      2  -0.595776D+00  0.540622D+00 -0.985476D+00 -0.133255D-01 -0.145171D+01
      3  -0.759095D-01 -0.985476D+00  0.150260D+01 -0.233433D+00  0.957909D+00
               126           127           128           129           130 
      1  -0.233433D+00  0.925207D+00 -0.102192D+00  0.623472D+00  0.532656D+00
      2   0.957909D+00 -0.102192D+00  0.124261D+01 -0.559016D+00  0.355020D+00
      3  -0.697334D+01  0.623472D+00 -0.559016D+00  0.624611D+00 -0.264268D+00
               131           132           133           134           135 
      1   0.355020D+00 -0.264268D+00  0.111947D+01 -0.263850D+00  0.118782D+00
      2  -0.423458D+01  0.180736D+01 -0.263850D+00  0.357772D+01 -0.284284D+01
      3   0.180736D+01 -0.190966D+01  0.118782D+00 -0.284284D+01  0.345810D+01
               136           137           138           139           140 
      1   0.185636D+01 -0.319755D+00 -0.506320D+00  0.161705D+01 -0.877467D+00
      2  -0.319755D+00  0.336489D+00 -0.920525D-02 -0.877467D+00 -0.679982D+01
      3  -0.506320D+00 -0.920525D-02  0.121459D+00 -0.485795D+00 -0.334101D+01
               141           142           143           144           145 
      1  -0.485795D+00 -0.290378D+01 -0.144756D+01 -0.851107D+00  0.339482D+00
      2  -0.334101D+01 -0.144756D+01 -0.573992D+01 -0.452038D+01 -0.336354D+00
      3  -0.257852D+01 -0.851107D+00 -0.452038D+01 -0.414681D+01  0.966914D+00
               146           147           148           149           150 
      1  -0.336354D+00  0.966914D+00 -0.480703D+00  0.626835D+00 -0.108326D+00
      2   0.661309D+00 -0.318725D+00  0.626835D+00 -0.425817D+01  0.250833D+01
      3  -0.318725D+00  0.430950D+00 -0.108326D+00  0.250833D+01 -0.356057D+01
               151           152           153           154           155 
      1   0.691661D+00 -0.250218D+00  0.486427D-01 -0.695900D+01  0.263139D+01
      2  -0.250218D+00  0.203412D+01 -0.189276D+01  0.263139D+01 -0.169044D+01
      3   0.486427D-01 -0.189276D+01  0.280386D+01  0.403106D+01 -0.153233D+01
               156           157           158           159           160 
      1   0.403106D+01  0.195637D+01 -0.155650D+01 -0.138046D+01  0.150108D+01
      2  -0.153233D+01 -0.155650D+01  0.161478D+01  0.174843D+01 -0.982490D+00
      3  -0.375720D+01 -0.138046D+01  0.174843D+01  0.157585D+01 -0.242377D+01
               161           162           163           164           165 
      1  -0.982490D+00 -0.242377D+01  0.339517D+01  0.200261D+01  0.135093D+01
      2   0.974399D+00  0.110197D+01  0.200261D+01  0.244225D+01  0.125938D+01
      3   0.110197D+01  0.268838D+01  0.135093D+01  0.125938D+01  0.209165D+01
               166           167           168           169           170 
      1   0.155572D+01  0.164182D+01  0.654940D+00  0.244581D+00  0.475665D+00
      2   0.164182D+01  0.301285D+01  0.196548D+01  0.475665D+00  0.960512D+00
      3   0.654940D+00  0.196548D+01  0.182575D+01  0.763367D+00  0.907106D+00
               171           172           173           174           175 
      1   0.763367D+00  0.215669D+01  0.232825D+01  0.396467D+00  0.175251D+01
      2   0.907106D+00  0.232825D+01  0.448347D+01 -0.172124D+00  0.172297D+01
      3   0.127524D+01  0.396467D+00 -0.172124D+00  0.844420D+00  0.383710D-01
               176           177           178           179           180 
      1   0.172297D+01  0.383710D-01  0.766581D+00 -0.463533D-01  0.233798D+00
      2   0.559598D+01  0.188526D+00 -0.463533D-01  0.123876D+01  0.847553D+00
      3   0.188526D+00  0.650698D+00  0.233798D+00  0.847553D+00 -0.265211D+00
               181           182           183           184           185 
      1  -0.825986D+01  0.498355D+01  0.118114D+01  0.162132D+01 -0.281836D+01
      2   0.498355D+01 -0.355477D+01 -0.555122D+00 -0.281836D+01  0.325710D+01
      3   0.118114D+01 -0.555122D+00 -0.142881D+01 -0.711683D+00  0.684081D+00
               186           187           188           189           190 
      1  -0.711683D+00  0.379618D+01 -0.184635D+01 -0.150993D+01 -0.142766D+01
      2   0.684081D+00 -0.184635D+01  0.220055D+01  0.954716D+00  0.847416D+00
      3   0.446106D+00 -0.150993D+01  0.954716D+00  0.542218D+00 -0.976234D+00
               191           192           193           194           195 
      1   0.847416D+00 -0.976234D+00  0.333520D+00  0.657385D-02 -0.168120D+00
      2  -0.852515D-01  0.623837D-01  0.657385D-02 -0.698587D-01 -0.595116D+00
      3   0.623837D-01 -0.101217D+01 -0.168120D+00 -0.595116D+00 -0.604790D+00
               196           197           198           199           200 
      1  -0.128334D+01  0.455530D+00 -0.202416D+01 -0.151840D+01 -0.509412D+00
      2   0.455530D+00 -0.163542D+01  0.130356D+01 -0.509412D+00 -0.132254D-01
      3  -0.202416D+01  0.130356D+01 -0.841128D+01  0.839246D+00 -0.441655D-01
               201           202           203           204           205 
      1   0.839246D+00 -0.131904D+01  0.998842D+00  0.379072D+00  0.202400D+01
      2  -0.441655D-01  0.998842D+00 -0.819653D+00  0.123362D+01  0.603492D+00
      3  -0.441145D-01  0.379072D+00  0.123362D+01 -0.130730D+01 -0.460123D+00
               206           207           208           209           210 
      1   0.603492D+00 -0.460123D+00  0.150501D+01  0.683754D+00 -0.121786D+01
      2   0.132885D+01 -0.132027D+01  0.683754D+00  0.765931D-01 -0.709967D-01
      3  -0.132027D+01  0.479051D+01 -0.121786D+01 -0.709967D-01 -0.206557D+00
               211           212           213           214           215 
      1   0.951498D+00 -0.234690D+00 -0.714040D+00 -0.179196D+01 -0.522104D+00
      2  -0.234690D+00  0.632230D+00 -0.974866D+00 -0.522104D+00 -0.118684D+01
      3  -0.714040D+00 -0.974866D+00  0.190835D+01  0.828504D+00  0.180610D+01
               216           217           218           219           220 
      1   0.828504D+00  0.310518D+01 -0.731368D+00 -0.534333D+00 -0.252244D+01
      2   0.180610D+01 -0.731368D+00  0.213729D+00  0.490722D+00  0.122567D+01
      3  -0.639778D+01 -0.534333D+00  0.490722D+00  0.748570D+00  0.160941D+01
               221           222           223           224           225 
      1   0.122567D+01  0.160941D+01 -0.409200D+01  0.233241D+00  0.360481D+01
      2  -0.138562D+01 -0.223083D+01  0.233241D+00 -0.224262D+01 -0.171666D+01
      3  -0.223083D+01 -0.303428D+01  0.360481D+01 -0.171666D+01 -0.682804D+01
               226           227           228           229           230 
      1   0.962574D+01  0.236326D+00  0.229587D+01 -0.728242D+00  0.122137D+01
      2   0.236326D+00  0.100217D+01  0.150479D+00  0.122137D+01  0.359491D+00
      3   0.229587D+01  0.150479D+00  0.166173D+01  0.894248D-01  0.886720D-01
               231           232           233           234           235 
      1   0.894248D-01  0.547797D+01  0.422356D+00  0.226674D+01  0.135385D+01
      2   0.886720D-01  0.422356D+00  0.638060D+00 -0.274968D-01  0.529810D+00
      3  -0.267623D+00  0.226674D+01 -0.274968D-01  0.153325D+01  0.471791D+00
               236           237           238           239           240 
      1   0.529810D+00  0.471791D+00  0.384854D+01  0.224593D+01 -0.937865D+00
      2  -0.750501D+00  0.440228D+00  0.224593D+01  0.797853D+01 -0.274512D+01
      3   0.440228D+00 -0.291105D+00 -0.937865D+00 -0.274512D+01  0.196322D+01
               241           242           243 
      1  -0.135579D+01 -0.506483D+00  0.150981D+01
      2  -0.506483D+00 -0.206966D+01  0.154932D+01
      3   0.150981D+01  0.154932D+01 -0.225030D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.606606D+01 -0.486556D+01  0.970673D+00 -0.392397D+01  0.740191D+01
      2   0.830015D+01  0.858077D+01  0.941701D+01  0.654320D+01  0.134499D+02
      3  -0.899530D+01 -0.965726D+01 -0.206269D+01 -0.470765D+01  0.111259D+01
                 6             7             8             9            10 
      1  -0.139308D+02 -0.770530D+00 -0.647415D+01  0.598376D+00 -0.295667D+01
      2  -0.451049D+01  0.517753D+00 -0.220832D+01 -0.896699D+01 -0.254833D+02
      3  -0.721003D+01  0.271708D-01 -0.606888D+01  0.187326D+01  0.182999D+02
                11            12            13            14            15 
      1   0.276143D+01  0.108372D+01  0.460652D+01 -0.528497D+01 -0.364285D+01
      2   0.173122D+01  0.792698D+01  0.435917D+01 -0.111377D+02 -0.591497D+00
      3   0.556036D+01  0.254142D+01  0.164084D+02  0.670164D+01  0.755288D+01
                16            17            18            19            20 
      1   0.388117D+01  0.679629D+01  0.426044D+01  0.796721D-01 -0.181791D+01
      2   0.117638D+02 -0.150981D+01  0.121471D+02  0.333001D+02  0.108744D+01
      3  -0.571035D+01  0.878667D+01 -0.146455D+00 -0.259530D+02 -0.633727D+01
                21            22            23            24            25 
      1  -0.125512D+01 -0.888816D+01 -0.302684D+01 -0.283223D+01 -0.379653D+01
      2   0.275758D+01 -0.311418D+01  0.713927D+01  0.565354D+01 -0.173746D+02
      3  -0.768282D+00 -0.866986D+00 -0.878776D+01 -0.231310D+01  0.605750D-01
                26            27            28            29            30 
      1   0.219865D+01  0.513090D+01  0.376670D+01 -0.416454D-01  0.178275D+00
      2   0.361457D+01 -0.368284D+01 -0.404819D+02 -0.423659D+01 -0.493321D+01
      3  -0.385787D+01 -0.190472D+01  0.214998D+02  0.827085D+01  0.173770D+01
                31            32            33            34            35 
      1   0.483451D+01  0.260944D+01 -0.239585D+01  0.294523D+01  0.260402D-01
      2  -0.137315D+02 -0.373350D+01 -0.128288D+01 -0.154164D+02 -0.164998D+01
      3   0.379935D+02  0.741645D+01  0.634909D-01  0.279979D+01  0.105567D+01
                36            37            38            39            40 
      1  -0.437551D+01 -0.210184D+01 -0.131303D+01 -0.747662D+00 -0.897370D+01
      2  -0.122395D+01  0.450350D+02  0.317923D+01  0.136723D+02  0.154131D+02
      3  -0.132749D+00 -0.176713D+02 -0.123657D+02 -0.185737D+01 -0.104876D+02
                41            42            43            44            45 
      1  -0.494903D+00 -0.533677D+01  0.173462D+01  0.789481D-01 -0.878045D+00
      2   0.299454D+01 -0.136018D+01 -0.146568D+02 -0.392618D+01  0.583068D+01
      3  -0.630993D+01  0.493149D+00 -0.531723D+00 -0.751213D+00  0.104386D+01
                46            47            48            49            50 
      1  -0.469538D+00  0.243011D+01  0.290377D+01 -0.660522D+01  0.421438D+01
      2  -0.740908D+01 -0.164179D+01 -0.697162D+01  0.842833D+01 -0.216079D+01
      3   0.278580D+01  0.138717D+02  0.419438D+01  0.256209D+02  0.112022D+01
                51            52            53            54            55 
      1  -0.768623D+01  0.188106D+01 -0.357590D+01 -0.277118D+01  0.159269D+01
      2   0.724342D+01 -0.554256D+02  0.591676D+00 -0.294730D+02  0.969476D+00
      3   0.135393D+01  0.550839D+01  0.991740D+01 -0.121532D+01 -0.264666D+00
                56            57            58            59            60 
      1  -0.626261D+00 -0.763759D+00  0.144011D+00 -0.297258D+01 -0.149941D+01
      2  -0.192417D+01  0.889402D+01 -0.112551D+02  0.890237D+01 -0.896441D+01
      3  -0.814600D+01  0.532892D+00 -0.685734D+01  0.688673D+01 -0.788063D+01
                61            62            63            64            65 
      1  -0.128228D+01  0.889839D+01  0.684355D+00  0.908945D+01 -0.198852D+01
      2   0.351849D+02 -0.431754D+01  0.453150D+02  0.100095D+02 -0.726459D+01
      3  -0.505673D+01 -0.131452D+02  0.265513D+01 -0.122300D+02 -0.217847D+02
                66            67            68            69            70 
      1  -0.420259D+01 -0.163653D+01  0.810976D+01 -0.163717D+01 -0.803491D+01
      2  -0.238678D+01 -0.599390D+01  0.577231D+01 -0.235009D+01 -0.107749D+02
      3  -0.170103D+01 -0.972030D+01 -0.736204D+01 -0.467372D+01  0.112383D+01
                71            72            73            74            75 
      1   0.536867D+01 -0.168325D+02 -0.339616D+00 -0.170119D+01  0.367513D+01
      2   0.156219D+01 -0.166102D+02  0.499600D+01  0.880374D+01 -0.106541D+02
      3  -0.575981D+01  0.351442D+01  0.644507D+01 -0.238760D+02 -0.844043D+01
                76            77            78            79            80 
      1  -0.164155D+01 -0.529192D+00 -0.222477D+01  0.561017D+01  0.178825D+01
      2   0.114501D+02  0.326289D+01  0.886053D+00 -0.248337D+02 -0.217642D+01
      3  -0.153054D+02 -0.540386D+01 -0.266074D+01 -0.934870D+01 -0.207494D+01
                81            82            83            84            85 
      1   0.229004D+01  0.244008D+01  0.487108D+01 -0.200369D+01  0.651782D+01
      2  -0.617986D+01 -0.721757D+01 -0.752872D+01  0.156052D+01 -0.971143D+01
      3  -0.492078D+01 -0.458585D+01  0.949511D+01  0.347689D+01  0.226793D+02
                86            87            88            89            90 
      1   0.447184D+01  0.702693D+01 -0.330696D+01  0.163164D+02 -0.355057D+01
      2  -0.558384D+01 -0.549713D+01  0.998896D+00 -0.685846D+01  0.148442D+01
      3   0.105096D+02  0.659330D+00  0.300723D+01  0.367325D+00  0.106665D+02
                91            92            93            94            95 
      1   0.299905D+00 -0.249428D+01  0.110404D+01  0.757309D+01  0.333270D+01
      2  -0.214301D+02 -0.319929D+01 -0.399749D+01 -0.421874D+01  0.153186D+02
      3  -0.910913D+01 -0.115353D+02  0.293024D+01  0.161659D+02  0.221013D+02
                96            97            98            99           100 
      1  -0.867937D+01  0.551911D+01 -0.107989D+01 -0.447137D+01 -0.201590D+01
      2   0.837689D+01 -0.261565D+02  0.366810D+01  0.163272D+02  0.562248D+01
      3  -0.207827D+02  0.527359D+01 -0.116444D+02 -0.776145D+01  0.339286D+01
               101           102           103           104           105 
      1   0.120238D+01 -0.217281D+01  0.458317D+00 -0.112430D+01 -0.967727D-01
      2  -0.914453D+00  0.941608D+01 -0.232521D+01  0.178563D+01 -0.246914D+01
      3  -0.262224D+01  0.280770D+01  0.118111D-01  0.269436D+01 -0.238927D+01
               106           107           108           109           110 
      1  -0.358889D+01  0.312760D+01 -0.446329D+01  0.286664D+01 -0.176514D+00
      2   0.101270D+02  0.156080D+00  0.171687D+02 -0.101910D+02 -0.327016D+01
      3   0.490871D+01 -0.627507D+01  0.343477D+01  0.125664D+01 -0.460016D+01
               111           112           113           114           115 
      1  -0.275997D+01  0.179319D+01  0.516565D+00 -0.164709D+01 -0.320544D+01
      2   0.107241D+02 -0.373263D+01 -0.331293D+01  0.273661D+01  0.120427D+02
      3   0.284995D+00 -0.342766D+00 -0.254234D+01  0.183271D+01  0.740105D+00
               116           117           118           119           120 
      1   0.927892D+00  0.325530D+01 -0.821996D+00 -0.101495D+00  0.220731D+00
      2   0.308192D+01 -0.118716D+02  0.296394D+01  0.457832D+00  0.785010D+00
      3   0.591238D+01  0.451012D+00  0.289943D+00 -0.100092D+01  0.509061D+00
               121           122           123           124           125 
      1  -0.183205D+01 -0.160023D+01  0.101242D+00 -0.706039D+00  0.447690D+01
      2   0.914682D+00  0.489029D-01 -0.185298D+01 -0.380678D+01 -0.816464D+00
      3   0.307771D+01  0.416082D+00 -0.434330D+00  0.934255D+00 -0.102140D+01
               126           127           128           129           130 
      1  -0.375569D+01  0.225994D+01 -0.142673D+01  0.235255D+01 -0.117879D+01
      2   0.677241D+01 -0.896887D+00  0.117076D+01 -0.743222D-01  0.187213D+01
      3   0.110042D+01 -0.237533D+01  0.836937D+00 -0.258466D+01  0.207293D+01
               131           132           133           134           135 
      1   0.493950D+01 -0.683779D+01  0.840435D+00 -0.576051D+01  0.115492D+02
      2  -0.290203D+01  0.298926D+01 -0.184568D+01  0.475834D+01 -0.570260D+01
      3  -0.832312D+01  0.402694D+01 -0.456609D+01  0.703221D+01 -0.627546D+01
               136           137           138           139           140 
      1  -0.162367D+01 -0.628744D+00  0.291857D+00 -0.464138D+00 -0.232201D+01
      2   0.198275D+01  0.168673D+00  0.601328D+00  0.326829D+00  0.523517D+01
      3  -0.187584D+01 -0.786005D-01  0.926199D+00  0.160716D+01 -0.116468D+02
               141           142           143           144           145 
      1  -0.663248D+01  0.220345D+00 -0.451870D+01 -0.799897D+01 -0.144538D+01
      2   0.453642D+01 -0.257791D+01  0.683169D+01  0.654923D+01 -0.426148D+01
      3  -0.542345D+01  0.261072D+01 -0.876495D+01 -0.762341D+01 -0.647348D+00
               146           147           148           149           150 
      1   0.249705D+01 -0.657427D+00  0.210727D+01 -0.134872D+02  0.445157D+01
      2   0.173526D+01 -0.175570D+01  0.369626D+01 -0.710175D+01  0.742058D+01
      3   0.487176D+00  0.193307D-01  0.286019D+01 -0.690105D+01  0.408105D+01
               151           152           153           154           155 
      1  -0.561799D+00  0.709058D+01 -0.475961D+01  0.206235D+01 -0.337302D+01
      2  -0.329353D+01  0.459563D+01 -0.567188D+01  0.443124D+01 -0.137699D+01
      3  -0.700781D+00  0.310397D+01 -0.319497D+01  0.628096D+00 -0.405912D+01
               156           157           158           159           160 
      1   0.850376D+00 -0.184250D+01  0.198495D+01  0.543316D+00 -0.652358D+00
      2   0.396002D+01 -0.273663D+01 -0.128808D+01 -0.159367D+01 -0.265498D+01
      3  -0.743544D+00 -0.560992D+00  0.302388D+01  0.256193D+01  0.507694D+00
               161           162           163           164           165 
      1   0.290272D+01 -0.367416D+00  0.280202D+01  0.479709D+01 -0.620187D+00
      2  -0.355412D-01 -0.158577D+01 -0.131577D+02 -0.744567D+01 -0.537466D+01
      3   0.209607D+01  0.472631D+00  0.905473D+01  0.492661D+01  0.347851D+01
               166           167           168           169           170 
      1   0.276955D+01  0.446073D+01  0.139796D+00  0.404786D+00  0.279420D+01
      2  -0.697651D+01 -0.808289D+01 -0.406287D+01 -0.435160D+01 -0.307419D+01
      3   0.684958D+01  0.626323D+01  0.443007D+01  0.134758D+01  0.176374D+01
               171           172           173           174           175 
      1   0.639759D+00 -0.253685D+01 -0.196008D+01 -0.336897D+01 -0.140923D+01
      2  -0.401112D+01  0.112339D+01  0.197771D+01  0.337129D-01  0.134990D+01
      3   0.276632D+01  0.154817D+02  0.155527D+02  0.759866D+00  0.111333D+02
               176           177           178           179           180 
      1  -0.377270D+01 -0.374180D+01 -0.684722D+00 -0.860726D+00  0.242656D-01
      2   0.122937D+01 -0.460200D+00 -0.106747D+01 -0.181433D+01  0.819662D+00
      3   0.185373D+02  0.568802D+00  0.163679D+01  0.294603D+01  0.284667D+01
               181           182           183           184           185 
      1  -0.546442D+01  0.301872D+01  0.500306D+01  0.331288D+01 -0.339808D+01
      2  -0.702456D+01  0.402768D+01  0.712902D+01  0.286686D+01 -0.344602D+01
      3  -0.261650D+01 -0.313643D+01  0.139109D+01  0.209907D+01  0.436055D+01
               186           187           188           189           190 
      1  -0.305736D+01  0.386213D+01 -0.149103D+01 -0.199333D+01  0.138027D+01
      2  -0.282885D+01  0.473873D+01 -0.288907D+01 -0.278512D+01  0.146580D+01
      3   0.466935D+00  0.769616D-01  0.361793D+01 -0.403947D+00  0.719025D+00
               191           192           193           194           195 
      1   0.207343D+00  0.234348D+01 -0.132553D+00  0.195495D+01  0.454492D+00
      2   0.212347D+00  0.267702D+01  0.225245D+00  0.144761D+01  0.145359D+01
      3   0.342768D+00 -0.142761D+01  0.943508D+00 -0.267527D+00 -0.144909D+01
               196           197           198           199           200 
      1   0.384777D+01  0.261208D+01  0.177553D+02 -0.155020D+00  0.570533D+00
      2   0.781620D+00 -0.258056D+01  0.195192D+02 -0.116706D+01 -0.495383D+00
      3  -0.194733D+01 -0.397602D+01  0.617001D+00  0.113730D+01 -0.112719D+00
               201           202           203           204           205 
      1  -0.180209D+00  0.507071D+01 -0.101071D+00 -0.148385D+01  0.100257D+01
      2  -0.584082D+00  0.178329D+01  0.196033D+01 -0.152613D-01 -0.444946D+01
      3  -0.563322D+00  0.681628D+00  0.458966D+00 -0.936125D+00 -0.278738D+01
               206           207           208           209           210 
      1   0.250923D+01  0.403689D+01 -0.168796D+01 -0.378643D-01 -0.406068D-01
      2   0.699657D+00  0.350072D+01 -0.144272D+01  0.453738D+00 -0.719604D+00
      3  -0.160301D+01  0.359819D+00 -0.325894D+01 -0.945319D+00 -0.805226D-01
               211           212           213           214           215 
      1   0.671423D+01 -0.668385D+00  0.175299D+00  0.231302D+01  0.444063D+01
      2  -0.180168D+01 -0.207956D+01  0.298500D+01 -0.341566D+01  0.286091D+01
      3   0.107782D+02 -0.199416D+00  0.242352D+01  0.374589D+01  0.303359D+01
               216           217           218           219           220 
      1  -0.227507D+00  0.140252D+00 -0.591358D+00 -0.875605D+00 -0.276674D+01
      2  -0.105966D+02  0.603971D+00  0.142727D+01  0.400296D+01  0.529479D+01
      3  -0.347700D+01  0.131563D+01 -0.269934D+01 -0.217601D+01 -0.897263D+01
               221           222           223           224           225 
      1   0.289747D+01  0.285419D+01 -0.315550D+01  0.455190D+01  0.537563D+01
      2  -0.873038D+01 -0.127875D+02  0.106259D+02 -0.743093D+01 -0.270222D+02
      3   0.636443D+01  0.115225D+02 -0.532089D+01  0.964032D+01  0.110777D+02
               226           227           228           229           230 
      1  -0.157459D+01 -0.142875D-01 -0.112389D+01 -0.894106D+00 -0.355849D+00
      2   0.166411D+02  0.738723D+00  0.117231D+02  0.262309D+00  0.739378D+00
      3   0.308659D+01 -0.644410D+01  0.682005D+00 -0.309671D+01 -0.906770D+00
               231           232           233           234           235 
      1  -0.506114D+00 -0.122950D+01  0.907292D+00 -0.678889D+00  0.479547D+00
      2  -0.105291D+01  0.105030D+02 -0.169727D+00  0.894697D+01  0.141167D+01
      3  -0.461628D+00  0.407680D+00 -0.351117D+01  0.101709D+01  0.106262D+01
               236           237           238           239           240 
      1   0.802771D+00 -0.205156D+00 -0.240609D+01 -0.622976D+01 -0.218161D+00
      2   0.201935D+01  0.510853D+00  0.811184D+00 -0.972685D+01  0.739871D+01
      3   0.384814D+01 -0.234115D+01 -0.917708D+01 -0.361893D+02  0.132718D+02
               241           242           243 
      1   0.404480D-01  0.215716D+01 -0.220536D-02
      2   0.392991D+01  0.590928D+01 -0.769163D+01
      3   0.125300D+01  0.918068D+01 -0.684032D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.199107D+01  0.199143D+02  0.198164D+02  0.168663D+02  0.133850D+02
      2   0.183855D+01 -0.163127D+02 -0.141644D+02 -0.140794D+02  0.483923D+01
      3  -0.382961D+01 -0.360159D+01 -0.565206D+01 -0.278692D+01 -0.182243D+02
      4   0.213046D+02 -0.322134D+01 -0.125249D+02 -0.924786D+00 -0.102985D+02
      5   0.279349D+02 -0.183154D+02 -0.207009D+02 -0.199792D+02  0.122064D+02
      6  -0.190134D+02 -0.494833D+01  0.542330D+01 -0.260161D+01  0.659568D+00
                 6             7             8             9            10 
      1  -0.461671D+01  0.129492D+02 -0.549660D+01 -0.149904D+02 -0.278937D+02
      2  -0.366903D+01 -0.840741D+01 -0.408362D+01 -0.134786D+01  0.298637D+02
      3   0.828575D+01 -0.454184D+01  0.958023D+01  0.163382D+02 -0.196994D+01
      4   0.169356D+02 -0.127308D+02  0.135616D+02  0.121531D+01 -0.421857D+02
      5  -0.152934D+01 -0.193810D+02  0.124681D+01 -0.846861D+01 -0.147375D+02
      6  -0.125824D+02  0.516227D+01 -0.120305D+02  0.832792D+01  0.881977D+01
                11            12            13            14            15 
      1  -0.239046D+02 -0.914349D+01 -0.327808D+02 -0.288928D+02 -0.606772D+01
      2   0.163348D+02  0.487998D+01  0.211627D+02  0.105308D+02  0.785179D+01
      3   0.756988D+01  0.426352D+01  0.116181D+02  0.183620D+02 -0.178407D+01
      4   0.323239D+01  0.579365D+01 -0.250584D+01 -0.342134D+01 -0.169915D+02
      5   0.427848D+01  0.123725D+02  0.675466D+01 -0.147940D+02  0.205697D+01
      6  -0.494083D+01 -0.136235D+01 -0.267538D+01  0.151195D+02  0.108235D+01
                16            17            18            19            20 
      1   0.315582D+01 -0.388075D+01  0.140027D+02  0.836931D+02  0.121880D+02
      2  -0.127862D+02  0.111929D+02 -0.618255D+01 -0.801922D+02 -0.142870D+02
      3   0.963037D+01 -0.731217D+01 -0.782019D+01 -0.350089D+01  0.209908D+01
      4   0.109103D+02 -0.233128D+02 -0.265907D+01  0.925112D+01 -0.204955D+02
      5   0.135411D+02 -0.104958D+01  0.229363D+02 -0.751635D+01 -0.528227D+01
      6  -0.407183D+01 -0.177415D+01 -0.112334D+02 -0.180441D+02 -0.466619D+01
                21            22            23            24            25 
      1   0.438213D+01  0.141744D+02  0.119104D+02 -0.132711D+01  0.146380D+01
      2  -0.654451D+01 -0.178374D+02 -0.126860D+02 -0.347068D+01  0.343142D+01
      3   0.216238D+01  0.366299D+01  0.775536D+00  0.479779D+01 -0.489522D+01
      4  -0.530016D+01 -0.342638D+02 -0.358451D+01  0.431199D+01 -0.100960D+02
      5   0.510070D-01 -0.103471D+02  0.757737D+00  0.787660D+01 -0.231465D+01
      6  -0.101657D+01 -0.715942D+01 -0.439143D+01  0.101785D+01 -0.814047D+00
                26            27            28            29            30 
      1  -0.256854D+01  0.751295D+01 -0.143299D+03 -0.651495D+01 -0.762991D+01
      2  -0.430377D+01  0.121130D+02  0.106755D+03  0.542827D+01  0.474928D+01
      3   0.687231D+01 -0.196259D+02  0.365436D+02  0.108668D+01  0.288063D+01
      4   0.974870D+01  0.546144D+01  0.304900D+01 -0.101882D+02 -0.165634D+01
      5   0.399288D+01 -0.775846D+01  0.612869D+01 -0.160288D+01 -0.126624D+02
      6   0.524246D+01  0.287172D+01  0.192630D+02  0.641629D+01  0.242100D+01
                31            32            33            34            35 
      1  -0.338337D+02 -0.268421D+02 -0.879121D+01  0.284431D+02 -0.394674D+01
      2   0.290839D+02  0.246948D+02  0.537520D+01 -0.168564D+02  0.445131D+01
      3   0.474980D+01  0.214727D+01  0.341600D+01 -0.115868D+02 -0.504572D+00
      4  -0.100656D+02 -0.936044D+01 -0.250535D+01 -0.143476D+01 -0.297299D+00
      5  -0.672585D+00 -0.935470D+00 -0.345926D+01  0.743212D+00  0.164321D+01
      6   0.304468D+01  0.742306D+01  0.481311D+01 -0.359868D+00 -0.120306D+01
                36            37            38            39            40 
      1  -0.402675D+01  0.160834D+03  0.109110D+02  0.995563D+01  0.368068D+02
      2  -0.234512D+01 -0.115369D+03 -0.678684D+01 -0.688967D+01 -0.195795D+02
      3   0.637188D+01 -0.454652D+02 -0.412420D+01 -0.306596D+01 -0.172273D+02
      4   0.218078D+01 -0.388511D+01  0.183117D+02  0.721215D+00  0.308110D+02
      5  -0.147314D+01  0.964717D+01  0.217430D+01  0.223558D+02  0.459621D+01
      6   0.531517D+01 -0.198689D+02 -0.562992D+01 -0.354872D+01 -0.115629D+02
                41            42            43            44            45 
      1   0.198054D+01 -0.359219D+01 -0.374324D+02 -0.107013D+02  0.136440D+02
      2   0.454192D+01 -0.267192D+01  0.235586D+02  0.435900D+01 -0.177133D+01
      3  -0.652246D+01  0.626411D+01  0.138739D+02  0.634232D+01 -0.118727D+02
      4   0.700483D+01 -0.286530D+01  0.902606D+00 -0.408342D+01 -0.715612D+01
      5  -0.250848D+01 -0.442457D+01  0.289517D+02 -0.506425D+01  0.762026D+01
      6  -0.977584D+00  0.418788D+01 -0.212369D+01  0.428019D+01  0.647997D+01
                46            47            48            49            50 
      1  -0.630386D+02 -0.685104D+01  0.152792D+02  0.298092D+01 -0.325600D+01
      2   0.469245D+02 -0.182194D+01 -0.512953D+01 -0.786767D+01  0.633575D+01
      3   0.161141D+02  0.867298D+01 -0.101497D+02  0.488675D+01 -0.307975D+01
      4  -0.977566D+01 -0.198978D+02  0.737444D+01  0.169430D+01  0.233025D+01
      5   0.547046D+01  0.446511D+01 -0.220954D+02  0.303350D+02 -0.516197D+01
      6   0.139966D+02  0.192794D+01 -0.103919D+01 -0.303172D+01  0.482165D+01
                51            52            53            54            55 
      1   0.124351D+02 -0.471344D+02  0.793521D+01 -0.215632D+02  0.298154D+02
      2  -0.129548D+02  0.474692D+02 -0.590704D+00  0.236480D+02 -0.177761D+02
      3   0.519721D+00 -0.334798D+00 -0.734451D+01 -0.208479D+01 -0.120394D+02
      4  -0.681029D+01  0.308258D+02 -0.603199D+01  0.101140D+02 -0.748268D+01
      5   0.750962D+01 -0.669770D+02  0.512270D+01 -0.450792D+02  0.195289D+02
      6   0.363736D+01  0.148479D+02 -0.691265D+01  0.821038D+01 -0.242889D+01
                56            57            58            59            60 
      1  -0.340794D+01  0.970759D+01 -0.279535D+02  0.286500D+00 -0.492146D+01
      2   0.320488D+01 -0.686939D+01  0.178216D+02  0.864408D+00  0.454467D+01
      3   0.203056D+00 -0.283820D+01  0.101319D+02 -0.115091D+01  0.376797D+00
      4   0.139833D+02 -0.601708D+01  0.244588D+02 -0.161365D+02  0.216573D+02
      5  -0.506008D+01  0.231049D+02 -0.219063D+02  0.209262D+02 -0.118923D+02
      6   0.185544D+01 -0.142287D+01  0.120905D+02 -0.909318D+01  0.136939D+02
                61            62            63            64            65 
      1   0.786826D+02  0.205215D+01  0.664317D+01 -0.113462D+01  0.393013D+02
      2  -0.623507D+02 -0.194643D+01 -0.347390D+02 -0.230854D+02 -0.271005D+02
      3  -0.163319D+02 -0.105715D+00  0.280958D+02  0.242201D+02 -0.122007D+02
      4  -0.168779D+02  0.164701D+02 -0.150665D+02  0.414792D+02 -0.213512D+02
      5   0.751831D+02 -0.922075D+01  0.773581D+02  0.803124D+01 -0.317354D+01
      6  -0.134745D+02  0.154254D+02 -0.103279D+02 -0.849834D+01  0.725311D+01
                66            67            68            69            70 
      1   0.104282D+02  0.333889D+02  0.510193D+01  0.124844D-02  0.887987D+01
      2  -0.122799D+00 -0.205642D+02 -0.543921D+01 -0.754479D+01  0.797115D+01
      3  -0.103054D+02 -0.128247D+02  0.337275D+00  0.754354D+01 -0.168510D+02
      4  -0.132745D+02 -0.162589D+02 -0.570361D+01  0.157750D+02 -0.208329D+02
      5  -0.500568D+01 -0.443523D+01  0.154616D+02 -0.708528D+01 -0.685934D+01
      6   0.424658D+01  0.859339D+01 -0.139597D+02  0.519320D+01  0.609145D+01
                71            72            73            74            75 
      1  -0.268965D+01 -0.412262D+01 -0.135532D+02 -0.126624D+02  0.320231D+01
      2  -0.100867D+02  0.176507D+02  0.903465D+01  0.955078D+01  0.552397D+01
      3   0.127763D+02 -0.135281D+02  0.451858D+01  0.311163D+01 -0.872628D+01
      4   0.203369D+02  0.466636D+01 -0.108644D+02  0.125404D+02  0.119499D+02
      5  -0.176380D+00 -0.357425D+02  0.114707D+02  0.115330D+02 -0.271730D+02
      6   0.593204D+01  0.198790D+02  0.348013D+01  0.892181D+01 -0.272497D+01
                76            77            78            79            80 
      1  -0.128520D+02  0.340680D+02  0.195849D+02  0.124682D+02  0.204496D+02
      2   0.101716D+02 -0.166156D+02 -0.103688D+02  0.246929D+01 -0.126428D+02
      3   0.268048D+01 -0.174524D+02 -0.921612D+01 -0.149375D+02 -0.780683D+01
      4   0.249904D+02  0.205764D+02  0.944650D+01  0.225296D+02  0.134249D+02
      5   0.196620D+02  0.708790D+01  0.282721D+01 -0.420307D+02 -0.847793D+00
      6   0.660430D+01  0.129460D+01 -0.104038D+00 -0.600539D+01  0.243988D+01
                81            82            83            84            85 
      1  -0.348461D+02 -0.479035D+02  0.514137D+01  0.520030D+01  0.127451D+02
      2   0.259722D+02  0.505465D+02  0.697969D+01 -0.614950D+01  0.290918D+01
      3   0.887385D+01 -0.264296D+01 -0.121211D+02  0.949203D+00 -0.156542D+02
      4  -0.558621D+01  0.255971D+02  0.193697D+02 -0.868384D+00  0.269282D+02
      5  -0.166869D+02  0.634551D+01  0.580726D+00  0.148804D+01 -0.102271D+01
      6   0.256717D+01  0.126529D+02 -0.222289D+01  0.288225D+01 -0.161604D+01
                86            87            88            89            90 
      1   0.903322D+01 -0.529470D+00  0.249468D+02  0.548983D+01  0.256233D+02
      2  -0.259940D+01  0.123006D+01 -0.245172D+02 -0.496937D+01 -0.280025D+02
      3  -0.643381D+01 -0.700591D+00 -0.429621D+00 -0.520460D+00  0.237919D+01
      4  -0.229569D+01 -0.815167D+01 -0.718631D+01 -0.143020D+02 -0.132581D+02
      5  -0.360971D+01 -0.111051D+02  0.260062D+01 -0.167328D+02  0.219286D+01
      6  -0.116659D+02 -0.209783D+02 -0.307528D+01 -0.328172D+02 -0.557726D+01
                91            92            93            94            95 
      1  -0.176780D+02  0.100116D+02 -0.442010D+02  0.223542D+02  0.128896D+02
      2   0.749845D+01 -0.248823D+01  0.212253D+02 -0.183241D+02 -0.122767D+02
      3   0.101796D+02 -0.752339D+01  0.229757D+02 -0.403007D+01 -0.612874D+00
      4   0.170112D+02  0.161165D+02 -0.126691D+02 -0.539479D+01 -0.330343D+02
      5  -0.511178D+02 -0.117687D+02  0.577791D+00 -0.143444D+02  0.262747D+02
      6  -0.732780D+01 -0.498947D+01  0.279468D+01  0.353357D+01  0.105904D+02
                96            97            98            99           100 
      1  -0.107619D+02 -0.617706D+02 -0.972609D+01 -0.202018D+02  0.363825D+02
      2   0.174160D+02  0.287933D+02  0.126308D+02  0.162421D+02 -0.241003D+02
      3  -0.665411D+01  0.329773D+02 -0.290470D+01  0.395974D+01 -0.122823D+02
      4   0.285857D+02 -0.136447D+02  0.214326D+02  0.125573D+02  0.642849D+01
      5   0.199557D+02 -0.254321D+02  0.126124D+02  0.322502D+02  0.250942D+02
      6  -0.846648D+01  0.423505D+01 -0.451328D+01 -0.651598D+01  0.180672D+01
               101           102           103           104           105 
      1   0.203050D+01  0.166443D+02 -0.565555D+01  0.741084D+00 -0.536425D+01
      2  -0.545840D+00 -0.128648D+02  0.427032D+01 -0.135621D+01  0.424528D+01
      3  -0.148466D+01 -0.377949D+01  0.138523D+01  0.615124D+00  0.111897D+01
      4   0.514671D+01  0.105541D+01  0.651268D+01 -0.280182D+01  0.523135D+01
      5  -0.854473D+00  0.236647D+02 -0.649011D+01  0.603233D+01 -0.531633D+01
      6   0.111753D+01  0.256145D+01  0.252291D+01 -0.191962D+00  0.420187D+01
               106           107           108           109           110 
      1   0.283609D+02 -0.211233D+01  0.200592D+02  0.612148D+02  0.139410D+02
      2  -0.238630D+02  0.268830D+01 -0.239459D+02 -0.309584D+02 -0.512900D+01
      3  -0.449790D+01 -0.575969D+00  0.388668D+01 -0.302564D+02 -0.881199D+01
      4   0.284248D+01  0.906443D+01  0.425558D+01  0.265642D+02  0.133100D+02
      5   0.384073D+02  0.109679D+01  0.418151D+02 -0.229214D+02 -0.680475D+01
      6   0.411727D+01  0.410652D+01  0.529528D+01 -0.670825D+01 -0.313115D+01
               111           112           113           114           115 
      1  -0.177953D+02  0.120277D+02  0.403162D+01 -0.503896D+01 -0.371367D+02
      2   0.875352D+01 -0.338112D+01  0.240646D+01  0.155473D+01  0.196958D+02
      3   0.904173D+01 -0.864655D+01 -0.643808D+01  0.348424D+01  0.174409D+02
      4  -0.942293D+01  0.162276D+02  0.105562D+02 -0.805871D+01 -0.189260D+02
      5   0.194260D+02 -0.700097D+01 -0.703427D+01  0.428038D+01  0.311997D+02
      6   0.424987D+01 -0.426363D+01 -0.265701D+01  0.386138D+01  0.815345D+01
               116           117           118           119           120 
      1  -0.936438D+01  0.199646D+02  0.104188D+01 -0.163825D+00  0.231924D+01
      2   0.331771D+01 -0.144129D+02 -0.387003D+01  0.640142D-01  0.460764D+00
      3   0.604667D+01 -0.555168D+01  0.282815D+01  0.998112D-01 -0.278000D+01
      4  -0.144975D+02  0.106830D+02 -0.133987D+01  0.256108D+01  0.542175D+00
      5   0.761879D+01 -0.219656D+02  0.863542D+00 -0.214014D+00  0.631945D+01
      6   0.466166D+01 -0.668257D+01 -0.252038D+00 -0.519336D-01 -0.164521D+00
               121           122           123           124           125 
      1   0.145078D+01 -0.582224D+01  0.461363D+01  0.169982D+00  0.194000D+01
      2   0.922244D-01  0.136286D+01  0.246309D+00 -0.287272D+00  0.246086D+01
      3  -0.154300D+01  0.445939D+01 -0.485994D+01  0.117291D+00 -0.440086D+01
      4   0.214739D+01 -0.103767D+01  0.102001D+01  0.173913D+00  0.398208D+01
      5  -0.435134D+00  0.823556D+00 -0.335581D+01  0.549211D+01 -0.181756D+01
      6  -0.578554D+00 -0.253298D+01  0.647494D+01 -0.255181D+00  0.448522D+01
               126           127           128           129           130 
      1  -0.218556D+02  0.406832D+00  0.639852D+01 -0.373840D+01  0.413881D+01
      2  -0.122180D+02 -0.272016D+00 -0.828734D+01  0.366149D+01 -0.408651D+01
      3   0.340737D+02 -0.134815D+00  0.188882D+01  0.769020D-01 -0.523061D-01
      4  -0.296362D+01 -0.136004D+01  0.135721D+01 -0.213247D+01  0.346082D+01
      5   0.114749D+02 -0.879235D+00 -0.927852D-02  0.324205D+00  0.914695D-01
      6  -0.164244D+00 -0.456413D+01  0.255644D+01 -0.304010D+01  0.763281D+00
               131           132           133           134           135 
      1  -0.195200D+02  0.779072D+01 -0.704593D+01  0.151591D+02 -0.158481D+02
      2   0.270462D+02 -0.107337D+02  0.455546D+01 -0.202860D+02  0.149419D+02
      3  -0.752623D+01  0.294302D+01  0.249047D+01  0.512683D+01  0.906161D+00
      4   0.992467D+01 -0.392141D+01 -0.478063D+01 -0.861132D+01  0.623391D+01
      5  -0.550877D+01  0.601795D+01  0.576609D+00  0.878612D+01 -0.107794D+02
      6  -0.952020D+01  0.123518D+02 -0.184651D+00  0.168479D+02 -0.156873D+02
               136           137           138           139           140 
      1   0.694198D+01  0.602383D+01  0.333432D+01  0.321811D+01 -0.285919D+02
      2  -0.534111D+01 -0.433781D+01 -0.133446D+01 -0.590635D+00  0.357126D+02
      3  -0.160087D+01 -0.168602D+01 -0.199986D+01 -0.262747D+01 -0.712069D+01
      4   0.442153D+01  0.644931D+01  0.451581D+01  0.954335D+01  0.232879D+02
      5   0.215273D+01  0.353823D+01  0.439693D+01  0.402388D+01  0.119219D+02
      6   0.350769D+01 -0.478524D+00 -0.885338D+00  0.421028D+01  0.280096D+02
               141           142           143           144           145 
      1  -0.138033D+02 -0.313006D+01 -0.248163D+02 -0.226969D+02 -0.187829D+01
      2   0.139955D+02  0.510007D+01  0.228185D+02  0.138338D+02 -0.111856D+01
      3  -0.192202D+00 -0.197002D+01  0.199778D+01  0.886312D+01  0.299685D+01
      4   0.117372D+02  0.107835D+02  0.198575D+02  0.146295D+02  0.583432D+00
      5   0.951626D+01  0.772866D+01  0.160214D+02  0.144921D+02 -0.299942D+01
      6   0.214036D+02  0.659701D+01  0.321343D+02  0.275920D+02 -0.666661D+00
               146           147           148           149           150 
      1   0.116567D+01 -0.603547D+01  0.275776D+01 -0.948033D+01  0.100560D+02
      2   0.123418D+01  0.864821D+00 -0.959970D+00 -0.131524D+01  0.723269D+01
      3  -0.239985D+01  0.517065D+01 -0.179779D+01  0.107956D+02 -0.172887D+02
      4   0.395018D+00  0.125383D+01  0.193436D+00  0.158089D+02 -0.960827D+01
      5  -0.130843D+00  0.354657D+01 -0.262142D+01 -0.773062D+01  0.117979D+02
      6   0.273982D+01 -0.158912D+01  0.143308D+01 -0.160416D+02  0.110500D+02
               151           152           153           154           155 
      1  -0.330731D+01  0.707715D+01 -0.103848D+02  0.277905D+02 -0.733496D+01
      2   0.117454D+01  0.456562D+01 -0.751933D+01 -0.204195D+02  0.409782D+01
      3   0.213276D+01 -0.116428D+02  0.179041D+02 -0.737102D+01  0.323714D+01
      4   0.109508D+01 -0.705572D+01  0.659207D+01 -0.222118D+02  0.148459D+02
      5   0.490424D+01  0.511223D+01 -0.816526D+01 -0.394095D+02  0.146296D+02
      6  -0.155489D+01  0.112053D+02 -0.880316D+01  0.128120D+02 -0.899868D+01
               156           157           158           159           160 
      1  -0.938039D+01 -0.725224D+01  0.700405D+00  0.364750D-01 -0.652018D+01
      2   0.149688D+02  0.421044D+01 -0.290034D+00 -0.225133D+01  0.114251D+02
      3  -0.558841D+01  0.304180D+01 -0.410371D+00  0.221485D+01 -0.490491D+01
      4   0.125708D+02  0.137365D+02 -0.112891D+02 -0.104358D+02  0.826722D+01
      5   0.313351D+02  0.139436D+02 -0.114737D+02 -0.115078D+02  0.218834D+02
      6  -0.101179D+02 -0.802434D+01  0.844819D+01  0.101320D+02 -0.725631D+01
               161           162           163           164           165 
      1   0.758065D-01  0.214735D+01 -0.112975D+02 -0.140452D+02 -0.138026D+02
      2  -0.188623D+01 -0.108445D+02  0.564727D+01  0.957604D+01  0.231829D+01
      3   0.181043D+01  0.869712D+01  0.565021D+01  0.446912D+01  0.114843D+02
      4  -0.590287D+01 -0.843577D+01  0.142401D+01 -0.676122D+00  0.531905D+00
      5  -0.841542D+01 -0.211494D+02  0.626396D+01  0.458164D+01  0.162612D+01
      6   0.726354D+01  0.824826D+01  0.888258D+01  0.109572D+02  0.769191D+01
               166           167           168           169           170 
      1  -0.113418D+02 -0.171810D+02 -0.947979D+01 -0.672025D+01 -0.508890D+01
      2   0.808571D+01  0.126005D+02  0.298474D+01  0.113774D+01  0.773719D+00
      3   0.325607D+01  0.458044D+01  0.649505D+01  0.558251D+01  0.431519D+01
      4   0.145420D+01 -0.269329D+01 -0.373728D+01  0.109815D+01 -0.179290D+01
      5   0.651546D+01  0.203666D+00 -0.170810D+01  0.463662D+01  0.473464D+00
      6   0.669299D+01  0.131054D+02  0.113452D+02  0.402496D+01  0.780291D+01
               171           172           173           174           175 
      1  -0.771037D+01 -0.143533D+02 -0.261812D+02 -0.976504D+00 -0.160584D+02
      2  -0.222659D+00  0.163888D+02  0.300881D+02  0.944496D+00  0.157206D+02
      3   0.793303D+01 -0.203546D+01 -0.390690D+01  0.320084D-01  0.337851D+00
      4  -0.380509D+00  0.399686D+01 -0.366304D+00  0.238611D+01  0.615037D+01
      5   0.598247D+00 -0.432763D+01 -0.168452D+01 -0.180909D+01 -0.264899D+01
      6   0.560111D+01  0.210804D+00 -0.373260D+01  0.538764D+01 -0.136406D+01
               176           177           178           179           180 
      1  -0.283317D+02 -0.831477D+00 -0.350956D+01 -0.290763D+01 -0.480319D+01
      2   0.388692D+02  0.217915D+01  0.144710D+01  0.613807D+01  0.301803D+01
      3  -0.105375D+02 -0.134767D+01  0.206247D+01 -0.323045D+01  0.178516D+01
      4  -0.846209D+01 -0.529475D+00  0.292064D+01 -0.398082D+01 -0.695451D+00
      5  -0.315632D+01 -0.200949D+01  0.706680D+00 -0.184170D+01  0.203853D+01
      6  -0.299831D+01  0.524823D+01  0.211845D+01  0.550810D+01 -0.781707D+00
               181           182           183           184           185 
      1   0.448095D+02 -0.187026D+02 -0.771836D+01 -0.154965D+02  0.474556D+01
      2  -0.724889D+01 -0.362176D+01  0.120112D+01 -0.219752D+01  0.124160D+02
      3  -0.375606D+02  0.223243D+02  0.651724D+01  0.176940D+02 -0.171615D+02
      4  -0.540375D+02  0.373690D+02  0.764153D+01  0.296195D+02 -0.269294D+02
      5  -0.337976D+01  0.100799D+01  0.997845D+01  0.164319D+01 -0.273589D+01
      6   0.354135D+01 -0.168398D+01 -0.721842D+01 -0.159899D+01  0.224364D+01
               186           187           188           189           190 
      1   0.123623D+01 -0.120381D+02  0.317934D+01  0.536954D+01  0.378548D+01
      2   0.255909D+01 -0.264001D+00  0.565300D+01 -0.242146D+01 -0.207926D+01
      3  -0.379532D+01  0.123021D+02 -0.883233D+01 -0.294808D+01 -0.170622D+01
      4  -0.596140D+01  0.185690D+02 -0.162804D+02 -0.962112D+01 -0.709975D+01
      5  -0.312187D+01  0.987470D+01 -0.596891D+01 -0.422797D+01  0.703005D+01
      6   0.392067D+01 -0.764238D+01  0.488524D+01  0.318081D+01 -0.285759D+01
               191           192           193           194           195 
      1  -0.443630D+01  0.420909D+01 -0.912935D-01 -0.224957D+01  0.241182D+01
      2   0.245066D+01 -0.449272D+01 -0.597515D+00  0.340631D+00 -0.426448D+01
      3   0.198564D+01  0.283632D+00  0.688808D+00  0.190894D+01  0.185266D+01
      4   0.493313D+01 -0.267802D+01  0.270184D+01  0.887439D+00  0.287251D+01
      5  -0.127336D+01  0.105328D+02  0.154349D+01  0.294853D+01  0.307055D+01
      6   0.450668D+00 -0.370721D+01  0.227704D+00 -0.125098D+01  0.454321D+01
               196           197           198           199           200 
      1   0.388500D+01  0.469077D+01 -0.971469D+01 -0.998615D+00 -0.103940D+01
      2  -0.633820D+01 -0.470970D+01 -0.168217D+02  0.164243D+01  0.808659D+00
      3   0.245320D+01  0.189297D-01  0.265363D+02 -0.643814D+00  0.230737D+00
      4  -0.604714D+01  0.825546D+01 -0.914267D+01 -0.853834D-01  0.141137D+01
      5   0.158455D+02 -0.665837D+01  0.433024D+02  0.573867D+00 -0.421581D+00
      6  -0.763144D+01  0.977500D+01 -0.297290D+02 -0.622190D+00  0.155363D+00
               201           202           203           204           205 
      1   0.107189D+01 -0.227469D+01 -0.176808D+01  0.542283D+01  0.653004D+01
      2  -0.758441D+00 -0.233293D+01  0.107095D+01 -0.289943D+01 -0.339232D+01
      3  -0.313451D+00  0.460762D+01  0.697135D+00 -0.252340D+01 -0.313772D+01
      4  -0.679211D+00  0.596900D+00 -0.159106D+01  0.225697D+01 -0.299251D+00
      5   0.202498D+01 -0.448570D+00  0.133471D+01 -0.665812D+00  0.112469D+01
      6   0.194055D+00  0.897264D+00 -0.375879D+01  0.360536D+01  0.804849D+00
               206           207           208           209           210 
      1   0.665551D+01 -0.131096D+02  0.262064D+01  0.254204D+01 -0.592372D+01
      2  -0.446862D+01  0.158706D+01 -0.323216D+01 -0.137174D+01  0.216120D+01
      3  -0.218689D+01  0.115226D+02  0.611523D+00 -0.117029D+01  0.376251D+01
      4   0.196350D+01 -0.305015D+01  0.279614D+01  0.153025D+01 -0.169965D+01
      5  -0.188001D+01  0.453351D+01 -0.518839D+01 -0.182372D+01  0.448207D+01
      6   0.498883D+01 -0.740380D+01 -0.180462D+01  0.226321D+00  0.460913D+00
               211           212           213           214           215 
      1   0.234290D+01 -0.424568D+01  0.455893D+01 -0.132845D+01  0.515757D+01
      2  -0.445591D+01  0.572988D+00  0.157430D+01  0.291551D+01  0.167811D+00
      3   0.211301D+01  0.367270D+01 -0.613323D+01 -0.158707D+01 -0.532538D+01
      4  -0.233203D+01  0.140854D+01 -0.254025D+01 -0.331049D+01 -0.321409D+01
      5  -0.491506D+01 -0.358513D+01  0.678372D+01  0.659720D+01  0.561896D+01
      6   0.135441D+01 -0.298342D+01  0.427088D+01  0.245610D+01  0.601313D+01
               216           217           218           219           220 
      1  -0.197351D+02  0.180592D+02 -0.593652D+01 -0.671212D+01 -0.195015D+02
      2  -0.700483D+01 -0.125131D+02  0.378188D+01  0.527258D+01  0.132603D+02
      3   0.267399D+02 -0.554612D+01  0.215464D+01  0.143954D+01  0.624119D+01
      4   0.426402D+01 -0.652033D+01  0.379808D+01  0.514494D+01  0.139352D+02
      5  -0.202967D+02 -0.857585D+01  0.583535D+01  0.114364D+02  0.176949D+02
      6  -0.657481D+01  0.253642D+01 -0.389400D+00 -0.686454D+00 -0.491585D+01
               221           222           223           224           225 
      1   0.203574D+01  0.605318D+01 -0.254823D+02 -0.665197D+00  0.107237D+02
      2  -0.192284D+01 -0.104124D+02  0.199553D+02 -0.503656D+01 -0.237790D+02
      3  -0.112903D+00  0.435917D+01  0.552703D+01  0.570176D+01  0.130553D+02
      4  -0.128666D+02 -0.201529D+02  0.424578D+01 -0.193342D+02 -0.166323D+02
      5  -0.187995D+02 -0.269389D+02  0.365589D+02 -0.150215D+02 -0.594440D+02
      6   0.557493D+01  0.894694D+01 -0.291301D+01  0.691813D+01  0.659698D+01
               226           227           228           229           230 
      1   0.101139D+03  0.169485D+01  0.236656D+02 -0.686530D+01  0.915327D+01
      2  -0.483365D+02  0.264122D+00 -0.100385D+02  0.446532D+01 -0.279266D+01
      3  -0.528026D+02 -0.195898D+01 -0.136271D+02  0.239998D+01 -0.636061D+01
      4   0.645248D+01  0.128796D+02  0.257086D+01  0.145078D+02  0.301003D+01
      5   0.192181D+02  0.162740D+01  0.172021D+02  0.438473D+00  0.150128D+01
      6   0.304994D+01 -0.192054D+00  0.188890D+01  0.200283D+00 -0.649183D+00
               231           232           233           234           235 
      1   0.287440D+00  0.517248D+02  0.265226D+01  0.202091D+02  0.488138D+01
      2  -0.873479D+00 -0.245463D+02 -0.121799D+01 -0.114455D+02 -0.141697D+01
      3   0.586039D+00 -0.271785D+02 -0.143427D+01 -0.876365D+01 -0.346441D+01
      4   0.190017D+01  0.514107D+01  0.705048D+01  0.424872D+00  0.274452D+01
      5  -0.261902D+01  0.237960D+02 -0.858647D-01  0.158363D+02  0.268613D+01
      6   0.232178D+01  0.270970D+01  0.176364D+01  0.248287D+01 -0.190294D+01
               236           237           238           239           240 
      1   0.825774D+01  0.357405D+00  0.225344D+02 -0.883021D+01  0.267078D+01
      2  -0.594343D+01  0.114907D+00 -0.605866D+01  0.229860D+02 -0.494213D+01
      3  -0.231430D+01 -0.472312D+00 -0.164757D+02 -0.141558D+02  0.227135D+01
      4  -0.921022D+00  0.181965D+01  0.238601D+02  0.629663D+02 -0.220734D+02
      5   0.111713D+01 -0.114583D+00 -0.997447D+01 -0.204466D+02  0.150461D+02
      6   0.147796D+01 -0.167886D+01 -0.538882D+01 -0.176688D+02  0.115127D+02
               241           242           243 
      1  -0.736218D+01  0.348382D+01  0.191971D+01
      2   0.425136D+01 -0.295548D+01 -0.177282D+01
      3   0.311081D+01 -0.528340D+00 -0.146890D+00
      4  -0.413823D+01 -0.164506D+02  0.113695D+02
      5   0.144275D+02  0.116908D+02 -0.178243D+02
      6   0.229967D+01  0.999460D+01 -0.621823D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x         -0.691470D+00     -0.175754D+01     -0.586253D+01
   y          0.308382D+00      0.783828D+00      0.261457D+01
   z         -0.974522D+00     -0.247699D+01     -0.826234D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.161954D+03      0.239991D+02      0.267026D+02
   yx         0.539450D+01      0.799383D+00      0.889434D+00
   yy         0.104291D+03      0.154544D+02      0.171953D+02
   zx        -0.277386D+01     -0.411043D+00     -0.457347D+00
   zy        -0.301374D+01     -0.446590D+00     -0.496899D+00
   zz         0.109144D+03      0.161735D+02      0.179955D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.136964D+03      0.202960D+02      0.225824D+02
   aniso      0.685519D+02      0.101583D+02      0.113027D+02
   xx         0.181785D+03      0.269377D+02      0.299722D+02
   yx         0.625564D+01      0.926991D+00      0.103142D+01
   yy         0.112423D+03      0.166594D+02      0.185361D+02
   zx        -0.261266D+01     -0.387157D+00     -0.430770D+00
   zy        -0.305059D+01     -0.452050D+00     -0.502974D+00
   zz         0.116685D+03      0.172909D+02      0.192388D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.47003587         -1.55170563         -0.14292920
     6         -3.17181872         -0.51541034          2.21084510
     6         -0.77111491          1.15060717          1.59450997
     6          0.66859704          0.65979770         -0.74467458
     6          3.10824202          0.02707780         -0.85801554
     6          4.40266170         -0.45926070         -3.29830993
     8          3.32022049         -0.31998661         -5.31906242
     6         -2.72446495         -2.60046238          4.12911090
     6         -4.47705279          1.93040096          3.18411819
     6         -2.50220805          3.51604622          1.73593716
     6          7.17124817         -1.14545872         -3.12985568
     1         -4.28457458          2.13565878          5.22637184
     1         -6.45807385          2.18504040          2.67893685
     1          0.49184684          1.10174215          3.22626510
     1         -3.16702927          4.07854473         -0.13092037
     1         -1.71674391          5.16969495          2.67562958
     1         -4.83542943         -0.07993794         -1.54017085
     1         -6.28577299         -2.38877203          0.37077317
     1         -3.32727180         -3.01218529         -1.04791291
     1         -1.50561697         -4.07288662          3.34530268
     1         -4.50723066         -3.48641399          4.68169538
     1         -1.82450685         -1.86588607          5.83436726
     1         -0.33566003          0.81103852         -2.52907238
     1          4.21987844         -0.14603612          0.85714660
     1          8.22104849          0.36948520         -2.19585100
     1          7.93654250         -1.46694317         -5.00912134
     1          7.41248586         -2.84206233         -1.97536526

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.123407D+01      0.313669D+01      0.104629D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.148545D+03      0.220120D+02      0.244917D+02
   yx        -0.848723D+01     -0.125768D+01     -0.139936D+01
   yy         0.104200D+03      0.154408D+02      0.171802D+02
   zx        -0.220757D+02     -0.327128D+01     -0.363979D+01
   zy         0.362876D+01      0.537726D+00      0.598301D+00
   zz         0.122645D+03      0.181742D+02      0.202215D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.136964D+03      0.202960D+02      0.225824D+02
   aniso      0.685519D+02      0.101583D+02      0.113027D+02
   xx         0.164410D+03      0.243631D+02      0.271076D+02
   yx        -0.100606D+02     -0.149083D+01     -0.165878D+01
   yy         0.112485D+03      0.166686D+02      0.185463D+02
   zx        -0.276496D+02     -0.409724D+01     -0.455880D+01
   zy         0.448047D+01      0.663937D+00      0.738729D+00
   zz         0.133997D+03      0.198564D+02      0.220932D+02

 ----------------------------------------------------------------------
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 MEMORIES ARE LIKE AN ENGLISH GRAMMER LESSON -
 PRESENT TENSE, AND PAST PERFECT.
 Job cpu time:       0 days  5 hours 57 minutes 26.5 seconds.
 Elapsed time:       0 days  0 hours 44 minutes 48.4 seconds.
 File lengths (MBytes):  RWF=    477 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:37:32 2021.
